4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

C20H20N2O4S2 — CID 30861048

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2sccc2C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-14-11-12-27-19(14)13-21-20(23)15-7-9-16(10-8-15)28(24,25)22-17-5-3-4-6-18(17)26-2/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyYDUAKQJUYXPPAS-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.80
Rot. Bonds7

About 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 30861048) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID30861048
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2sccc2C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-14-11-12-27-19(14)13-21-20(23)15-7-9-16(10-8-15)28(24,25)22-17-5-3-4-6-18(17)26-2/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyYDUAKQJUYXPPAS-UHFFFAOYSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861039
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30873016
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
N-(2-methoxyphenyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 4826874
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46462402
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 30861048) is 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2sccc2C)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is YDUAKQJUYXPPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-14-11-12-27-19(14)13-21-20(23)15-7-9-16(10-8-15)28(24,25)22-17-5-3-4-6-18(17)26-2/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 30861048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).