N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

C21H22N2O4S — CID 9481851

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccco3)c2)cc1
InChIInChI=1S/C21H22N2O4S/c1-15-9-11-18(12-10-15)23(3)28(25,26)19-7-4-6-17(14-19)21(24)22-16(2)20-8-5-13-27-20/h4-14,16H,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyDZVMZGCLWMOOTJ-INIZCTEOSA-N
MW398.48 g/mol
LogP3.90
Rot. Bonds6

About N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 9481851) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
PubChem CID9481851
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccco3)c2)cc1
InChIInChI=1S/C21H22N2O4S/c1-15-9-11-18(12-10-15)23(3)28(25,26)19-7-4-6-17(14-19)21(24)22-16(2)20-8-5-13-27-20/h4-14,16H,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyDZVMZGCLWMOOTJ-INIZCTEOSA-N
XLogP3.90
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide 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

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132666889
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55405944
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39130989
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132672050
N-[(2R)-1-amino-1-oxopent-4-yn-2-yl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 97070399
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (CID 9481851) is N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccco3)c2)cc1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is DZVMZGCLWMOOTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-9-11-18(12-10-15)23(3)28(25,26)19-7-4-6-17(14-19)21(24)22-16(2)20-8-5-13-27-20/h4-14,16H,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9481851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).