(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C18H19ClN2O3S — CID 2559010

IUPAC(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C18H19ClN2O3S/c1-11-9-13(15(24-2)10-12(11)19)20-17(22)14-5-3-7-21(14)18(23)16-6-4-8-25-16/h4,6,8-10,14H,3,5,7H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyGKFJWIFANHUZBH-AWEZNQCLSA-N
MW378.88 g/mol
LogP3.96
Rot. Bonds4

About (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2559010) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2559010
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C18H19ClN2O3S/c1-11-9-13(15(24-2)10-12(11)19)20-17(22)14-5-3-7-21(14)18(23)16-6-4-8-25-16/h4,6,8-10,14H,3,5,7H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyGKFJWIFANHUZBH-AWEZNQCLSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-cyano-2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 49182753
N-(4-fluoro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86927366
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
methyl 4-chloro-3-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 78844646
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 40985026
N-(4-bromo-2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 3130752
(2R)-N-(3-fluoro-2-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 126004910
N-(3-fluoro-4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51159772
2-(4-chloro-2-methoxy-5-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 39964978
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2559010) is (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is GKFJWIFANHUZBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-11-9-13(15(24-2)10-12(11)19)20-17(22)14-5-3-7-21(14)18(23)16-6-4-8-25-16/h4,6,8-10,14H,3,5,7H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2559010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).