N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide

C20H20N2O4S — CID 1251601

IUPACN-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C20H20N2O4S/c1-14-6-3-4-8-18(14)22-27(24,25)19-12-16(10-9-15(19)2)20(23)21-13-17-7-5-11-26-17/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyYRQJWUOJVVUYMP-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.63
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide

N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 1251601) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID1251601
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C20H20N2O4S/c1-14-6-3-4-8-18(14)22-27(24,25)19-12-16(10-9-15(19)2)20(23)21-13-17-7-5-11-26-17/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyYRQJWUOJVVUYMP-UHFFFAOYSA-N
XLogP3.63
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
N-[2-(furan-2-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26795706
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3559507
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064483
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 1251601) is N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is YRQJWUOJVVUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-6-3-4-8-18(14)22-27(24,25)19-12-16(10-9-15(19)2)20(23)21-13-17-7-5-11-26-17/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 1251601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).