4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C125H134F5N7O7S — CID 158020602

IUPAC4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5F)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4S(=O)(=O)Cc3ccccc3)cc2)CC1.CCc1ccccc1NC(=O)c1ccnc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc12
InChIInChI=1S/C32H35F3N2O2.C32H34N2O.C31H37NO3S.C30H28F2N2O/c1-3-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-29-30(19-25)39-26(4-2)20-37(29)31(38)36-28-8-6-5-7-27(28)32(33,34)35;1-3-22-9-11-24(12-10-22)25-13-15-26(16-14-25)27-17-18-28-29(19-20-33-31(28)21-27)32(35)34-30-8-6-5-7-23(30)4-2;1-3-23-10-12-25(13-11-23)26-14-16-27(17-15-26)28-18-19-30-31(20-28)35-29(4-2)21-32(30)36(33,34)22-24-8-6-5-7-9-24;1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-13-25-26(15-16-33-29(25)17-23)30(35)34-28-14-12-24(31)18-27(28)32/h5-8,13-19,21-22,26H,3-4,9-12,20H2,1-2H3,(H,36,38);5-8,13-22,24H,3-4,9-12H2,1-2H3,(H,34,35);5-9,14-20,23,25,29H,3-4,10-13,21-22H2,1-2H3;7-20H,2-6H2,1H3,(H,34,35)
InChIKeyFFZZTRJJPWNCKJ-UHFFFAOYSA-N
MW1973.55 g/mol
LogP33.33
Rot. Bonds23

About 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 158020602) has the molecular formula C125H134F5N7O7S and a molecular weight of 1973.55 g/mol. Its IUPAC name is 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID158020602
Molecular FormulaC125H134F5N7O7S
Molecular Weight1973.55 g/mol
Exact Mass1972.00
IUPAC Name4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5F)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4S(=O)(=O)Cc3ccccc3)cc2)CC1.CCc1ccccc1NC(=O)c1ccnc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc12
InChIInChI=1S/C32H35F3N2O2.C32H34N2O.C31H37NO3S.C30H28F2N2O/c1-3-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-29-30(19-25)39-26(4-2)20-37(29)31(38)36-28-8-6-5-7-27(28)32(33,34)35;1-3-22-9-11-24(12-10-22)25-13-15-26(16-14-25)27-17-18-28-29(19-20-33-31(28)21-27)32(35)34-30-8-6-5-7-23(30)4-2;1-3-23-10-12-25(13-11-23)26-14-16-27(17-15-26)28-18-19-30-31(20-28)35-29(4-2)21-32(30)36(33,34)22-24-8-6-5-7-9-24;1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-13-25-26(15-16-33-29(25)17-23)30(35)34-28-14-12-24(31)18-27(28)32/h5-8,13-19,21-22,26H,3-4,9-12,20H2,1-2H3,(H,36,38);5-8,13-22,24H,3-4,9-12H2,1-2H3,(H,34,35);5-9,14-20,23,25,29H,3-4,10-13,21-22H2,1-2H3;7-20H,2-6H2,1H3,(H,34,35)
InChIKeyFFZZTRJJPWNCKJ-UHFFFAOYSA-N
XLogP33.33
TPSA172.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001973.55
LogP ≤ 533.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-[2-Amino-3-[4-(morpholine-4-carbonyl)phenyl]quinolin-6-yl]-2-methoxy-4-methyl-3-pyridinyl]-4,6-difluorocyclohexa-2,4-diene-1-sulfonamide
CID 66800487
7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane
CID 158041874
7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide
CID 158333534
N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 158747947
3-fluoro-N-methyl-4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]benzamide;N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-[(E)-2-phenylethenyl]benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]benzamide
CID 159010854
6-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenoxy]hexan-2-one;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoline-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzamide
CID 159535453
CID 159747935
CID 159747935
N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 160667843
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylquinolin-1-ium-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)quinoline-4-carboxamide;hydroxide
CID 161034918
3-fluoro-N-methyl-4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]benzamide;N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide;N-[2-methyl-5-[2-oxo-9-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
CID 161699486
2-fluoro-N-(3-(4-(quinolin-8-yloxy)piperidine-1-carbonyl)phenyl)benzenesulfonamide
CID 121157280
3-fluoro-N-(3-(4-(quinolin-8-yloxy)piperidine-1-carbonyl)phenyl)benzenesulfonamide
CID 121157281

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 158020602) is 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5F)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4S(=O)(=O)Cc3ccccc3)cc2)CC1.CCc1ccccc1NC(=O)c1ccnc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc12.
What is the InChIKey of 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is FFZZTRJJPWNCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N2O2.C32H34N2O.C31H37NO3S.C30H28F2N2O/c1-3-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-29-30(19-25)39-26(4-2)20-37(29)31(38)36-28-8-6-5-7-27(28)32(33,34)35;1-3-22-9-11-24(12-10-22)25-13-15-26(16-14-25)27-17-18-28-29(19-20-33-31(28)21-27)32(35)34-30-8-6-5-7-23(30)4-2;1-3-23-10-12-25(13-11-23)26-14-16-27(17-15-26)28-18-19-30-31(20-28)35-29(4-2)21-32(30)36(33,34)22-24-8-6-5-7-9-24;1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-13-25-26(15-16-33-29(25)17-23)30(35)34-28-14-12-24(31)18-27(28)32/h5-8,13-19,21-22,26H,3-4,9-12,20H2,1-2H3,(H,36,38);5-8,13-22,24H,3-4,9-12H2,1-2H3,(H,34,35);5-9,14-20,23,25,29H,3-4,10-13,21-22H2,1-2H3;7-20H,2-6H2,1H3,(H,34,35).
What are the key properties of 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 1973.55 g/mol, XLogP of 33.33, 23 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 158020602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).