4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C24H30ClN3O4S — CID 25435903

IUPAC4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)N2CCCC2)cc1
InChIInChI=1S/C24H30ClN3O4S/c1-32-20-9-6-18(7-10-20)22(27-12-2-3-13-27)17-26-24(29)19-8-11-21(25)23(16-19)33(30,31)28-14-4-5-15-28/h6-11,16,22H,2-5,12-15,17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyWGEWNKRZACJOQT-QFIPXVFZSA-N
MW492.04 g/mol
LogP3.70
Rot. Bonds8

About 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 25435903) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID25435903
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC Name4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)N2CCCC2)cc1
InChIInChI=1S/C24H30ClN3O4S/c1-32-20-9-6-18(7-10-20)22(27-12-2-3-13-27)17-26-24(29)19-8-11-21(25)23(16-19)33(30,31)28-14-4-5-15-28/h6-11,16,22H,2-5,12-15,17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyWGEWNKRZACJOQT-QFIPXVFZSA-N
XLogP3.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17480002
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94013311
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 94013312
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 25435903) is 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc([C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)N2CCCC2)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WGEWNKRZACJOQT-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-32-20-9-6-18(7-10-20)22(27-12-2-3-13-27)17-26-24(29)19-8-11-21(25)23(16-19)33(30,31)28-14-4-5-15-28/h6-11,16,22H,2-5,12-15,17H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 492.04 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 25435903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).