N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide

C25H32N2O5S — CID 55898155

IUPACN-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1cccc(CC2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C25H32N2O5S/c1-31-22-11-5-7-18(16-22)15-21-10-6-14-27(21)25(28)19-12-13-23(32-2)24(17-19)33(29,30)26-20-8-3-4-9-20/h5,7,11-13,16-17,20-21,26H,3-4,6,8-10,14-15H2,1-2H3
InChIKeyVXULPEIZGILGOA-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.77
Rot. Bonds8

About N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide

N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 55898155) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID55898155
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC NameN-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1cccc(CC2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C25H32N2O5S/c1-31-22-11-5-7-18(16-22)15-21-10-6-14-27(21)25(28)19-12-13-23(32-2)24(17-19)33(29,30)26-20-8-3-4-9-20/h5,7,11-13,16-17,20-21,26H,3-4,6,8-10,14-15H2,1-2H3
InChIKeyVXULPEIZGILGOA-UHFFFAOYSA-N
XLogP3.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
CID 42045896
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55955903
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 55955262
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 60574977
(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55957054
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
N-cyclopentyl-5-(2,3-dimethylpiperazine-1-carbonyl)-2-methoxybenzenesulfonamide
CID 120572231
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide (CID 55898155) is N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide is COc1cccc(CC2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1.
What is the InChIKey of N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is VXULPEIZGILGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-31-22-11-5-7-18(16-22)15-21-10-6-14-27(21)25(28)19-12-13-23(32-2)24(17-19)33(29,30)26-20-8-3-4-9-20/h5,7,11-13,16-17,20-21,26H,3-4,6,8-10,14-15H2,1-2H3.
What are the key properties of N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide?
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 472.61 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55898155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).