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

C28H29FN2O5S — CID 15958417

IUPACN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H29FN2O5S/c1-35-26-13-12-19(14-27(26)36-24-9-2-3-10-24)20-15-28(32)31(18-20)23-8-5-7-22(17-23)30-37(33,34)25-11-4-6-21(29)16-25/h4-8,11-14,16-17,20,24,30H,2-3,9-10,15,18H2,1H3/t20-/m0/s1
InChIKeyPZMUQSFTSRBMSA-FQEVSTJZSA-N
MW524.61 g/mol
LogP5.48
Rot. Bonds8

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

N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 15958417) has the molecular formula C28H29FN2O5S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID15958417
Molecular FormulaC28H29FN2O5S
Molecular Weight524.61 g/mol
Exact Mass524.18
IUPAC NameN-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H29FN2O5S/c1-35-26-13-12-19(14-27(26)36-24-9-2-3-10-24)20-15-28(32)31(18-20)23-8-5-7-22(17-23)30-37(33,34)25-11-4-6-21(29)16-25/h4-8,11-14,16-17,20,24,30H,2-3,9-10,15,18H2,1H3/t20-/m0/s1
InChIKeyPZMUQSFTSRBMSA-FQEVSTJZSA-N
XLogP5.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide (CID 15958417) is N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide is COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)C2)cc1OC1CCCC1.
What is the InChIKey of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is PZMUQSFTSRBMSA-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H29FN2O5S/c1-35-26-13-12-19(14-27(26)36-24-9-2-3-10-24)20-15-28(32)31(18-20)23-8-5-7-22(17-23)30-37(33,34)25-11-4-6-21(29)16-25/h4-8,11-14,16-17,20,24,30H,2-3,9-10,15,18H2,1H3/t20-/m0/s1.
What are the key properties of N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide?
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 524.61 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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-fluorobenzenesulfonamide is sourced from PubChem (CID 15958417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).