N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide

C96H95Cl3N6O16S2 — CID 163504722

IUPACN-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide
SMILESCc1cc(OCCCC2=C(C(=O)NCc3ccc(C(=O)NS(=O)(=O)c4ccccc4)o3)Cc3ccccc32)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)NCc3ccc(C(=O)NS(C)(=O)=O)o3)Cc3ccccc32)cc(C)c1Cl.Cc1ccccc1CNC(=O)c1ccc(CNC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3ccccc3C2)o1
InChIInChI=1S/C35H35ClN2O4.C33H31ClN2O6S.C28H29ClN2O6S/c1-22-9-4-5-11-26(22)20-37-35(40)32-15-14-27(42-32)21-38-34(39)31-19-25-10-6-7-12-29(25)30(31)13-8-16-41-28-17-23(2)33(36)24(3)18-28;1-21-17-25(18-22(2)31(21)34)41-16-8-13-28-27-12-7-6-9-23(27)19-29(28)32(37)35-20-24-14-15-30(42-24)33(38)36-43(39,40)26-10-4-3-5-11-26;1-17-13-21(14-18(2)26(17)29)36-12-6-9-23-22-8-5-4-7-19(22)15-24(23)27(32)30-16-20-10-11-25(37-20)28(33)31-38(3,34)35/h4-7,9-12,14-15,17-18H,8,13,16,19-21H2,1-3H3,(H,37,40)(H,38,39);3-7,9-12,14-15,17-18H,8,13,16,19-20H2,1-2H3,(H,35,37)(H,36,38);4-5,7-8,10-11,13-14H,6,9,12,15-16H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyCXPQAHNDBBIHQI-UHFFFAOYSA-N
MW1759.33 g/mol
LogP18.15
Rot. Bonds32

About N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide

N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide (PubChem CID 163504722) has the molecular formula C96H95Cl3N6O16S2 and a molecular weight of 1759.33 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide
PubChem CID163504722
Molecular FormulaC96H95Cl3N6O16S2
Molecular Weight1759.33 g/mol
Exact Mass1756.53
IUPAC NameN-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide
SMILESCc1cc(OCCCC2=C(C(=O)NCc3ccc(C(=O)NS(=O)(=O)c4ccccc4)o3)Cc3ccccc32)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)NCc3ccc(C(=O)NS(C)(=O)=O)o3)Cc3ccccc32)cc(C)c1Cl.Cc1ccccc1CNC(=O)c1ccc(CNC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3ccccc3C2)o1
InChIInChI=1S/C35H35ClN2O4.C33H31ClN2O6S.C28H29ClN2O6S/c1-22-9-4-5-11-26(22)20-37-35(40)32-15-14-27(42-32)21-38-34(39)31-19-25-10-6-7-12-29(25)30(31)13-8-16-41-28-17-23(2)33(36)24(3)18-28;1-21-17-25(18-22(2)31(21)34)41-16-8-13-28-27-12-7-6-9-23(27)19-29(28)32(37)35-20-24-14-15-30(42-24)33(38)36-43(39,40)26-10-4-3-5-11-26;1-17-13-21(14-18(2)26(17)29)36-12-6-9-23-22-8-5-4-7-19(22)15-24(23)27(32)30-16-20-10-11-25(37-20)28(33)31-38(3,34)35/h4-7,9-12,14-15,17-18H,8,13,16,19-21H2,1-3H3,(H,37,40)(H,38,39);3-7,9-12,14-15,17-18H,8,13,16,19-20H2,1-2H3,(H,35,37)(H,36,38);4-5,7-8,10-11,13-14H,6,9,12,15-16H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyCXPQAHNDBBIHQI-UHFFFAOYSA-N
XLogP18.15
TPSA309.99 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001759.33
LogP ≤ 518.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide with MolForge

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Related Compounds

N-[2-(benzenesulfonamido)-2-oxoethyl]-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[2-(naphthalen-2-ylsulfonylamino)-2-oxoethyl]-1H-indene-2-carboxamide;3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[2-oxo-2-(pyridin-3-ylsulfonylamino)ethyl]-1H-indene-2-carboxamide
CID 163789413
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1H-indene-2-carboxamide
CID 163593149
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[5-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]furan-2-yl]methyl]-1H-indole-2-carboxamide
CID 118406989
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[[3-[(2-cyanophenyl)sulfonylcarbamoyl]phenyl]methyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indene-2-carboxamide
CID 158327556
N-[[3-(benzylcarbamoyl)phenyl]methyl]-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indene-2-carboxamide
CID 149301624
N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 90082708
N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2,4-dimethyl-3-pyridinyl)-1H-indene-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(7-methylimidazo[1,2-a]pyridin-6-yl)-1H-indene-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(7-methyltetrazolo[1,5-a]pyridin-6-yl)-1H-indene-2-carboxamide
CID 158753648
N-(benzenesulfonyl)-1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indole-2-carboxamide
CID 175655652
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 118394807
4-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carbonyl]amino]methyl]-1H-pyrrole-2-carboxylic acid
CID 148932076
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[(2-chloro-4-pyridinyl)methyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indene-2-carboxamide
CID 147040897

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide (CID 163504722) is N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide is Cc1cc(OCCCC2=C(C(=O)NCc3ccc(C(=O)NS(=O)(=O)c4ccccc4)o3)Cc3ccccc32)cc(C)c1Cl.Cc1cc(OCCCC2=C(C(=O)NCc3ccc(C(=O)NS(C)(=O)=O)o3)Cc3ccccc32)cc(C)c1Cl.Cc1ccccc1CNC(=O)c1ccc(CNC(=O)C2=C(CCCOc3cc(C)c(Cl)c(C)c3)c3ccccc3C2)o1.
What is the InChIKey of N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide?
The InChIKey is CXPQAHNDBBIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN2O4.C33H31ClN2O6S.C28H29ClN2O6S/c1-22-9-4-5-11-26(22)20-37-35(40)32-15-14-27(42-32)21-38-34(39)31-19-25-10-6-7-12-29(25)30(31)13-8-16-41-28-17-23(2)33(36)24(3)18-28;1-21-17-25(18-22(2)31(21)34)41-16-8-13-28-27-12-7-6-9-23(27)19-29(28)32(37)35-20-24-14-15-30(42-24)33(38)36-43(39,40)26-10-4-3-5-11-26;1-17-13-21(14-18(2)26(17)29)36-12-6-9-23-22-8-5-4-7-19(22)15-24(23)27(32)30-16-20-10-11-25(37-20)28(33)31-38(3,34)35/h4-7,9-12,14-15,17-18H,8,13,16,19-21H2,1-3H3,(H,37,40)(H,38,39);3-7,9-12,14-15,17-18H,8,13,16,19-20H2,1-2H3,(H,35,37)(H,36,38);4-5,7-8,10-11,13-14H,6,9,12,15-16H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide?
N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide has a molecular weight of 1759.33 g/mol, XLogP of 18.15, 32 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide;5-[[[3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indene-2-carbonyl]amino]methyl]-N-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 163504722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).