(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide

C14H19ClN2O4S — CID 110306006

IUPAC(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
SMILESCOCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c1-21-9-10-22(19,20)17-8-2-3-13(17)14(18)16-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyNCIZDDBWAWVIFQ-ZDUSSCGKSA-N
MW346.84 g/mol
LogP1.72
Rot. Bonds6

About (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide

(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 110306006) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID110306006
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
SMILESCOCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c1-21-9-10-22(19,20)17-8-2-3-13(17)14(18)16-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyNCIZDDBWAWVIFQ-ZDUSSCGKSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55880512
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 132667017
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
CID 55880907
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948
1-propylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 78865337
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429765

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide (CID 110306006) is (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide is COCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is NCIZDDBWAWVIFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-21-9-10-22(19,20)17-8-2-3-13(17)14(18)16-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110306006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).