5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide

C20H19NO5S2 — CID 53124497

IUPAC5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C20H19NO5S2/c1-25-15-8-9-17(26-2)14(12-15)13-21-20(22)18-10-11-19(27-18)28(23,24)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyZFLRPROQOFTQHE-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.53
Rot. Bonds7

About 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide

5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 53124497) has the molecular formula C20H19NO5S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID53124497
Molecular FormulaC20H19NO5S2
Molecular Weight417.51 g/mol
Exact Mass417.07
IUPAC Name5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C20H19NO5S2/c1-25-15-8-9-17(26-2)14(12-15)13-21-20(22)18-10-11-19(27-18)28(23,24)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyZFLRPROQOFTQHE-UHFFFAOYSA-N
XLogP3.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124439
5-(azepan-1-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53066338
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119626257
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931
5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353994
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide (CID 53124497) is 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(OC)c(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is ZFLRPROQOFTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S2/c1-25-15-8-9-17(26-2)14(12-15)13-21-20(22)18-10-11-19(27-18)28(23,24)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53124497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).