3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide

C16H17ClN2O2S — CID 60535154

IUPAC3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H17ClN2O2S/c1-10(9-19-8-4-7-13(19)20)18-16(21)15-14(17)11-5-2-3-6-12(11)22-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,18,21)
InChIKeySOVGRVFYVQBUKA-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.30
Rot. Bonds4

About 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide

3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 60535154) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID60535154
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H17ClN2O2S/c1-10(9-19-8-4-7-13(19)20)18-16(21)15-14(17)11-5-2-3-6-12(11)22-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,18,21)
InChIKeySOVGRVFYVQBUKA-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 93423385
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107844908
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60934371
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61069095
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
3-bromo-2-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 97054372
3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 1246039
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide (CID 60535154) is 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide is CC(CN1CCCC1=O)NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is SOVGRVFYVQBUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-10(9-19-8-4-7-13(19)20)18-16(21)15-14(17)11-5-2-3-6-12(11)22-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,18,21).
What are the key properties of 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60535154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).