N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide

C18H19ClN2O2S — CID 27830091

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19ClN2O2S/c1-2-20(12-15-8-9-16(19)24-15)18(23)13-5-3-6-14(11-13)21-10-4-7-17(21)22/h3,5-6,8-9,11H,2,4,7,10,12H2,1H3
InChIKeyCLIFBOQPVOPRCC-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.19
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27830091) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID27830091
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19ClN2O2S/c1-2-20(12-15-8-9-16(19)24-15)18(23)13-5-3-6-14(11-13)21-10-4-7-17(21)22/h3,5-6,8-9,11H,2,4,7,10,12H2,1H3
InChIKeyCLIFBOQPVOPRCC-UHFFFAOYSA-N
XLogP4.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78813579
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271
N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787
2-[[(2R)-butan-2-yl]-[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
CID 124684573
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9395109
N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 29213246
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9228105
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110306227
N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide
CID 55920117

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 27830091) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CLIFBOQPVOPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-2-20(12-15-8-9-16(19)24-15)18(23)13-5-3-6-14(11-13)21-10-4-7-17(21)22/h3,5-6,8-9,11H,2,4,7,10,12H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 362.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27830091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).