N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide

C29H29F3N2O6S — CID 15958410

IUPACN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C29H29F3N2O6S/c1-38-26-13-12-19(14-27(26)39-23-8-2-3-9-23)20-15-28(35)34(18-20)22-7-4-6-21(16-22)33-41(36,37)25-11-5-10-24(17-25)40-29(30,31)32/h4-7,10-14,16-17,20,23,33H,2-3,8-9,15,18H2,1H3/t20-/m0/s1
InChIKeyUQTUGMRXSSEMAM-FQEVSTJZSA-N
MW590.62 g/mol
LogP6.24
Rot. Bonds9

About N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 15958410) has the molecular formula C29H29F3N2O6S and a molecular weight of 590.62 g/mol. Its IUPAC name is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID15958410
Molecular FormulaC29H29F3N2O6S
Molecular Weight590.62 g/mol
Exact Mass590.17
IUPAC NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C29H29F3N2O6S/c1-38-26-13-12-19(14-27(26)39-23-8-2-3-9-23)20-15-28(35)34(18-20)22-7-4-6-21(16-22)33-41(36,37)25-11-5-10-24(17-25)40-29(30,31)32/h4-7,10-14,16-17,20,23,33H,2-3,8-9,15,18H2,1H3/t20-/m0/s1
InChIKeyUQTUGMRXSSEMAM-FQEVSTJZSA-N
XLogP6.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.62
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 15958410) is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide is COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c3)C2)cc1OC1CCCC1.
What is the InChIKey of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UQTUGMRXSSEMAM-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H29F3N2O6S/c1-38-26-13-12-19(14-27(26)39-23-8-2-3-9-23)20-15-28(35)34(18-20)22-7-4-6-21(16-22)33-41(36,37)25-11-5-10-24(17-25)40-29(30,31)32/h4-7,10-14,16-17,20,23,33H,2-3,8-9,15,18H2,1H3/t20-/m0/s1.
What are the key properties of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 590.62 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 15958410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).