3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide

C21H21NO4S — CID 51283759

IUPAC3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21NO4S/c1-16-8-6-7-9-17(16)14-22(2)21(23)20-18(12-13-26-20)15-27(24,25)19-10-4-3-5-11-19/h3-13H,14-15H2,1-2H3
InChIKeyBGHQNNCNKFXYBW-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.83
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 51283759) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
PubChem CID51283759
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21NO4S/c1-16-8-6-7-9-17(16)14-22(2)21(23)20-18(12-13-26-20)15-27(24,25)19-10-4-3-5-11-19/h3-13H,14-15H2,1-2H3
InChIKeyBGHQNNCNKFXYBW-UHFFFAOYSA-N
XLogP3.83
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 46664583
3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 51133835
3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 55466525
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
3-(benzenesulfonylmethyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide
CID 135954329
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 51098556
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55466072
3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide
CID 55466705
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466315
3-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-carboxylic acid
CID 43153115
3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
CID 43054440

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide (CID 51283759) is 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide is Cc1ccccc1CN(C)C(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is BGHQNNCNKFXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-16-8-6-7-9-17(16)14-22(2)21(23)20-18(12-13-26-20)15-27(24,25)19-10-4-3-5-11-19/h3-13H,14-15H2,1-2H3.
What are the key properties of 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 51283759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).