4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C21H22N2O3S2 — CID 4963703

IUPAC4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-23(18-8-5-4-6-9-18)28(25,26)20-13-11-17(12-14-20)21(24)22(2)16-19-10-7-15-27-19/h4-15H,3,16H2,1-2H3
InChIKeyNJENREVIQGHDKE-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.24
Rot. Bonds7

About 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide

4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 4963703) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID4963703
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-23(18-8-5-4-6-9-18)28(25,26)20-13-11-17(12-14-20)21(24)22(2)16-19-10-7-15-27-19/h4-15H,3,16H2,1-2H3
InChIKeyNJENREVIQGHDKE-UHFFFAOYSA-N
XLogP4.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 4963703) is 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccs2)cc1.
What is the InChIKey of 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NJENREVIQGHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-3-23(18-8-5-4-6-9-18)28(25,26)20-13-11-17(12-14-20)21(24)22(2)16-19-10-7-15-27-19/h4-15H,3,16H2,1-2H3.
What are the key properties of 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 4963703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).