1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide

C27H36N2O4S — CID 55527426

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)N1CCCC1
InChIInChI=1S/C27H36N2O4S/c1-20-12-13-21(2)25(18-20)34(31,32)27(14-6-7-15-27)26(30)28-19-23(29-16-8-9-17-29)22-10-4-5-11-24(22)33-3/h4-5,10-13,18,23H,6-9,14-17,19H2,1-3H3,(H,28,30)
InChIKeyWLXDVFBPTPJPGS-UHFFFAOYSA-N
MW484.66 g/mol
LogP4.35
Rot. Bonds8

About 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide (PubChem CID 55527426) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
PubChem CID55527426
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)N1CCCC1
InChIInChI=1S/C27H36N2O4S/c1-20-12-13-21(2)25(18-20)34(31,32)27(14-6-7-15-27)26(30)28-19-23(29-16-8-9-17-29)22-10-4-5-11-24(22)33-3/h4-5,10-13,18,23H,6-9,14-17,19H2,1-3H3,(H,28,30)
InChIKeyWLXDVFBPTPJPGS-UHFFFAOYSA-N
XLogP4.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
1-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-N',1-N'-dimethylcyclopropane-1,1-dicarboxamide
CID 100728103
1-(2,5-dimethylphenyl)sulfonyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 55977941
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 120669331
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 120639875

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide (CID 55527426) is 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide is COc1ccccc1C(CNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)N1CCCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide?
The InChIKey is WLXDVFBPTPJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-20-12-13-21(2)25(18-20)34(31,32)27(14-6-7-15-27)26(30)28-19-23(29-16-8-9-17-29)22-10-4-5-11-24(22)33-3/h4-5,10-13,18,23H,6-9,14-17,19H2,1-3H3,(H,28,30).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide has a molecular weight of 484.66 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55527426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).