3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C17H15ClN2O3S3 — CID 51364501

IUPAC3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(c1ccsc1C(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3S3/c1-20(26(22,23)14-6-4-12(18)5-7-14)15-8-10-25-16(15)17(21)19-11-13-3-2-9-24-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyXDBJRRSBERDQIH-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.22
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 51364501) has the molecular formula C17H15ClN2O3S3 and a molecular weight of 426.97 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID51364501
Molecular FormulaC17H15ClN2O3S3
Molecular Weight426.97 g/mol
Exact Mass425.99
IUPAC Name3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(c1ccsc1C(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3S3/c1-20(26(22,23)14-6-4-12(18)5-7-14)15-8-10-25-16(15)17(21)19-11-13-3-2-9-24-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyXDBJRRSBERDQIH-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46391720
N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
CID 52940435
N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
CID 46391656
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methylamino]thiophene-2-carboxamide
CID 46391702
N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 50834607
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 24537811
3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133850

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 51364501) is 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is CN(c1ccsc1C(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XDBJRRSBERDQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S3/c1-20(26(22,23)14-6-4-12(18)5-7-14)15-8-10-25-16(15)17(21)19-11-13-3-2-9-24-13/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 426.97 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 51364501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).