(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H21ClN2O2S — CID 51970288

IUPAC(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccc(Cl)s3)CC2=O)c1C
InChIInChI=1S/C19H21ClN2O2S/c1-12-5-4-6-16(13(12)2)22-10-14(9-18(22)23)19(24)21(3)11-15-7-8-17(20)25-15/h4-8,14H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyXCUYZWMYOKJOBI-AWEZNQCLSA-N
MW376.91 g/mol
LogP4.03
Rot. Bonds4

About (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 51970288) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID51970288
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccc(Cl)s3)CC2=O)c1C
InChIInChI=1S/C19H21ClN2O2S/c1-12-5-4-6-16(13(12)2)22-10-14(9-18(22)23)19(24)21(3)11-15-7-8-17(20)25-15/h4-8,14H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyXCUYZWMYOKJOBI-AWEZNQCLSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 56777831
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209621
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30933762
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982035
N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 112794097
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
(3R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 51966524
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
1-(2,3-dimethylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55389303
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,3-dimethylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 51156735

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 51970288) is (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccc(Cl)s3)CC2=O)c1C.
What is the InChIKey of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XCUYZWMYOKJOBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-12-5-4-6-16(13(12)2)22-10-14(9-18(22)23)19(24)21(3)11-15-7-8-17(20)25-15/h4-8,14H,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51970288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).