N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C19H23N3O4S — CID 39573261

IUPACN-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-21-27(25,26)17-9-8-13(2)18(11-17)19(24)20-12-15-6-5-7-16(10-15)22-14(3)23/h5-11,21H,4,12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyPPKUYRKKWDYPSL-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.18
Rot. Bonds7

About N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 39573261) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID39573261
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-21-27(25,26)17-9-8-13(2)18(11-17)19(24)20-12-15-6-5-7-16(10-15)22-14(3)23/h5-11,21H,4,12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyPPKUYRKKWDYPSL-UHFFFAOYSA-N
XLogP2.18
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
CID 26561827
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55953105
N-(5-acetamido-2-methoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 42112029
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 39573261) is N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is PPKUYRKKWDYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-21-27(25,26)17-9-8-13(2)18(11-17)19(24)20-12-15-6-5-7-16(10-15)22-14(3)23/h5-11,21H,4,12H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 39573261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).