4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid

C84H112F3N11O14S3 — CID 160693637

IUPAC4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid
SMILESC.C.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(N)c(N)c2)CC1)c1ccc(F)cc1.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc3c(c2)CC(C2CCOCC2)=N3)CC1)c1ccc(F)cc1.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc3nc(C4CCOCC4)[nH]c3c2)CC1)c1ccc(F)cc1.O=C(O)C1CCOCC1
InChIInChI=1S/C28H34FN3O4S.C27H33FN4O4S.C21H27FN4O3S.C6H10O3.2CH4/c1-18(19-2-6-23(29)7-3-19)30-28(33)21-4-8-24(9-5-21)32-37(34,35)25-10-11-26-22(16-25)17-27(31-26)20-12-14-36-15-13-20;1-17(18-2-6-21(28)7-3-18)29-27(33)20-4-8-22(9-5-20)32-37(34,35)23-10-11-24-25(16-23)31-26(30-24)19-12-14-36-15-13-19;1-13(14-2-6-16(22)7-3-14)25-21(27)15-4-8-17(9-5-15)26-30(28,29)18-10-11-19(23)20(24)12-18;7-6(8)5-1-3-9-4-2-5;;/h2-3,6-7,10-11,16,18,20-21,24,32H,4-5,8-9,12-15,17H2,1H3,(H,30,33);2-3,6-7,10-11,16-17,19-20,22,32H,4-5,8-9,12-15H2,1H3,(H,29,33)(H,30,31);2-3,6-7,10-13,15,17,26H,4-5,8-9,23-24H2,1H3,(H,25,27);5H,1-4H2,(H,7,8);2*1H4/t18-,21?,24?;17-,20?,22?;13-,15?,17?;;;/m111.../s1
InChIKeyRPSPGBYIIYEERJ-IAGPBJKGSA-N
MW1653.08 g/mol
LogP13.38
Rot. Bonds21

About 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid

4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid (PubChem CID 160693637) has the molecular formula C84H112F3N11O14S3 and a molecular weight of 1653.08 g/mol. Its IUPAC name is 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid
PubChem CID160693637
Molecular FormulaC84H112F3N11O14S3
Molecular Weight1653.08 g/mol
Exact Mass1651.75
IUPAC Name4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid
SMILESC.C.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(N)c(N)c2)CC1)c1ccc(F)cc1.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc3c(c2)CC(C2CCOCC2)=N3)CC1)c1ccc(F)cc1.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc3nc(C4CCOCC4)[nH]c3c2)CC1)c1ccc(F)cc1.O=C(O)C1CCOCC1
InChIInChI=1S/C28H34FN3O4S.C27H33FN4O4S.C21H27FN4O3S.C6H10O3.2CH4/c1-18(19-2-6-23(29)7-3-19)30-28(33)21-4-8-24(9-5-21)32-37(34,35)25-10-11-26-22(16-25)17-27(31-26)20-12-14-36-15-13-20;1-17(18-2-6-21(28)7-3-18)29-27(33)20-4-8-22(9-5-20)32-37(34,35)23-10-11-24-25(16-23)31-26(30-24)19-12-14-36-15-13-19;1-13(14-2-6-16(22)7-3-14)25-21(27)15-4-8-17(9-5-15)26-30(28,29)18-10-11-19(23)20(24)12-18;7-6(8)5-1-3-9-4-2-5;;/h2-3,6-7,10-11,16,18,20-21,24,32H,4-5,8-9,12-15,17H2,1H3,(H,30,33);2-3,6-7,10-11,16-17,19-20,22,32H,4-5,8-9,12-15H2,1H3,(H,29,33)(H,30,31);2-3,6-7,10-13,15,17,26H,4-5,8-9,23-24H2,1H3,(H,25,27);5H,1-4H2,(H,7,8);2*1H4/t18-,21?,24?;17-,20?,22?;13-,15?,17?;;;/m111.../s1
InChIKeyRPSPGBYIIYEERJ-IAGPBJKGSA-N
XLogP13.38
TPSA383.88 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001653.08
LogP ≤ 513.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid 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

tert-butyl (2S)-2-[6-[[4-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]cyclohexyl]sulfamoyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158808935
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)sulfonylamino]cyclohexane-1-carboxamide
CID 66710182
4-[(2-cyclopropyl-1H-indol-6-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90096658
4-(9H-fluoren-2-ylsulfonylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90216895
4-[(2-ethynyl-1H-indol-6-yl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 129275319
4-[(2-anilino-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 90216894
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1H-indol-5-ylsulfonylamino)cyclohexane-1-carboxamide
CID 58074371
4-[(1,2-dimethylbenzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 56639932
N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 76743565
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292025
bis(carbon dioxide);4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;3-ethylbenzaldehyde;4-[[2-(3-ethylphenyl)-3H-indol-5-yl]sulfonylamino]-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 159734332
4-[[(2R)-2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl]sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 90217155

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid?
The IUPAC name of 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid (CID 160693637) is 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid is C.C.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(N)c(N)c2)CC1)c1ccc(F)cc1.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc3c(c2)CC(C2CCOCC2)=N3)CC1)c1ccc(F)cc1.C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc3nc(C4CCOCC4)[nH]c3c2)CC1)c1ccc(F)cc1.O=C(O)C1CCOCC1.
What is the InChIKey of 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid?
The InChIKey is RPSPGBYIIYEERJ-IAGPBJKGSA-N. The full InChI is InChI=1S/C28H34FN3O4S.C27H33FN4O4S.C21H27FN4O3S.C6H10O3.2CH4/c1-18(19-2-6-23(29)7-3-19)30-28(33)21-4-8-24(9-5-21)32-37(34,35)25-10-11-26-22(16-25)17-27(31-26)20-12-14-36-15-13-20;1-17(18-2-6-21(28)7-3-18)29-27(33)20-4-8-22(9-5-20)32-37(34,35)23-10-11-24-25(16-23)31-26(30-24)19-12-14-36-15-13-19;1-13(14-2-6-16(22)7-3-14)25-21(27)15-4-8-17(9-5-15)26-30(28,29)18-10-11-19(23)20(24)12-18;7-6(8)5-1-3-9-4-2-5;;/h2-3,6-7,10-11,16,18,20-21,24,32H,4-5,8-9,12-15,17H2,1H3,(H,30,33);2-3,6-7,10-11,16-17,19-20,22,32H,4-5,8-9,12-15H2,1H3,(H,29,33)(H,30,31);2-3,6-7,10-13,15,17,26H,4-5,8-9,23-24H2,1H3,(H,25,27);5H,1-4H2,(H,7,8);2*1H4/t18-,21?,24?;17-,20?,22?;13-,15?,17?;;;/m111.../s1.
What are the key properties of 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid?
4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid has a molecular weight of 1653.08 g/mol, XLogP of 13.38, 21 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-diaminophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-benzimidazol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[2-(oxan-4-yl)-3H-indol-5-yl]sulfonylamino]cyclohexane-1-carboxamide;methane;oxane-4-carboxylic acid is sourced from PubChem (CID 160693637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).