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

C29H32N2O6S — CID 15958408

IUPACN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C29H32N2O6S/c1-35-25-11-6-12-26(18-25)38(33,34)30-22-7-5-8-23(17-22)31-19-21(16-29(31)32)20-13-14-27(36-2)28(15-20)37-24-9-3-4-10-24/h5-8,11-15,17-18,21,24,30H,3-4,9-10,16,19H2,1-2H3/t21-/m0/s1
InChIKeyBJZGRNPTRCMLEI-NRFANRHFSA-N
MW536.65 g/mol
LogP5.35
Rot. Bonds9

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

N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide (PubChem CID 15958408) has the molecular formula C29H32N2O6S and a molecular weight of 536.65 g/mol. Its IUPAC name is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide
PubChem CID15958408
Molecular FormulaC29H32N2O6S
Molecular Weight536.65 g/mol
Exact Mass536.20
IUPAC NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C29H32N2O6S/c1-35-25-11-6-12-26(18-25)38(33,34)30-22-7-5-8-23(17-22)31-19-21(16-29(31)32)20-13-14-27(36-2)28(15-20)37-24-9-3-4-10-24/h5-8,11-15,17-18,21,24,30H,3-4,9-10,16,19H2,1-2H3/t21-/m0/s1
InChIKeyBJZGRNPTRCMLEI-NRFANRHFSA-N
XLogP5.35
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.65
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide (CID 15958408) is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1.
What is the InChIKey of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide?
The InChIKey is BJZGRNPTRCMLEI-NRFANRHFSA-N. The full InChI is InChI=1S/C29H32N2O6S/c1-35-25-11-6-12-26(18-25)38(33,34)30-22-7-5-8-23(17-22)31-19-21(16-29(31)32)20-13-14-27(36-2)28(15-20)37-24-9-3-4-10-24/h5-8,11-15,17-18,21,24,30H,3-4,9-10,16,19H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide?
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide has a molecular weight of 536.65 g/mol, XLogP of 5.35, 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-methoxybenzenesulfonamide is sourced from PubChem (CID 15958408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).