5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide

C20H19NO3S2 — CID 53124472

IUPAC5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H19NO3S2/c1-2-21(15-16-9-5-3-6-10-16)20(22)18-13-14-19(25-18)26(23,24)17-11-7-4-8-12-17/h3-14H,2,15H2,1H3
InChIKeyRAGSMSKJFKLNGP-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.24
Rot. Bonds6

About 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide

5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide (PubChem CID 53124472) has the molecular formula C20H19NO3S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
PubChem CID53124472
Molecular FormulaC20H19NO3S2
Molecular Weight385.51 g/mol
Exact Mass385.08
IUPAC Name5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C20H19NO3S2/c1-2-21(15-16-9-5-3-6-10-16)20(22)18-13-14-19(25-18)26(23,24)17-11-7-4-8-12-17/h3-14H,2,15H2,1H3
InChIKeyRAGSMSKJFKLNGP-UHFFFAOYSA-N
XLogP4.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide
CID 22901909
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 110851810
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
CID 107022163
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
(methoxycarbonylamino) N-benzyl-N-ethylcarbamate
CID 21389979

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide (CID 53124472) is 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide?
The InChIKey is RAGSMSKJFKLNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S2/c1-2-21(15-16-9-5-3-6-10-16)20(22)18-13-14-19(25-18)26(23,24)17-11-7-4-8-12-17/h3-14H,2,15H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide?
5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 53124472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).