N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C12H11ClN2O4S3 — CID 51119320

IUPACN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NS(=O)(=O)c1ccc(Cl)s1)C(=O)c1cccs1
InChIInChI=1S/C12H11ClN2O4S3/c1-15(12(17)8-3-2-6-20-8)7-10(16)14-22(18,19)11-5-4-9(13)21-11/h2-6H,7H2,1H3,(H,14,16)
InChIKeyVPTIFSIOYVLPQO-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.04
Rot. Bonds5

About N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 51119320) has the molecular formula C12H11ClN2O4S3 and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID51119320
Molecular FormulaC12H11ClN2O4S3
Molecular Weight378.88 g/mol
Exact Mass377.96
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NS(=O)(=O)c1ccc(Cl)s1)C(=O)c1cccs1
InChIInChI=1S/C12H11ClN2O4S3/c1-15(12(17)8-3-2-6-20-8)7-10(16)14-22(18,19)11-5-4-9(13)21-11/h2-6H,7H2,1H3,(H,14,16)
InChIKeyVPTIFSIOYVLPQO-UHFFFAOYSA-N
XLogP2.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chlorothiophen-2-yl)sulfonylmethyl]thiophene-2-carboxamide
CID 58248853
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47068278
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389
1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
CID 134117146
N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47093401
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 51119320) is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)NS(=O)(=O)c1ccc(Cl)s1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is VPTIFSIOYVLPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S3/c1-15(12(17)8-3-2-6-20-8)7-10(16)14-22(18,19)11-5-4-9(13)21-11/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 51119320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).