3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide

C21H22N2O4S — CID 9482206

IUPAC3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-15-10-11-18(21(24)23-16(2)19-9-6-12-27-19)13-20(15)28(25,26)22-14-17-7-4-3-5-8-17/h3-13,16,22H,14H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyPBOIVLGDBJHOOZ-INIZCTEOSA-N
MW398.48 g/mol
LogP3.56
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide

3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide (PubChem CID 9482206) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
PubChem CID9482206
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-15-10-11-18(21(24)23-16(2)19-9-6-12-27-19)13-20(15)28(25,26)22-14-17-7-4-3-5-8-17/h3-13,16,22H,14H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyPBOIVLGDBJHOOZ-INIZCTEOSA-N
XLogP3.56
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 41041399
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
CID 24542584
N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 119615533
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617491
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454906
3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28557709

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide (CID 9482206) is 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide?
The InChIKey is PBOIVLGDBJHOOZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-10-11-18(21(24)23-16(2)19-9-6-12-27-19)13-20(15)28(25,26)22-14-17-7-4-3-5-8-17/h3-13,16,22H,14H2,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide?
3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide has a molecular weight of 398.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 9482206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).