N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide

C18H21N3O4S — CID 18163583

IUPACN-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N3O4S/c1-13(19-18(23)14-8-5-4-6-9-14)17(22)20-15-10-7-11-16(12-15)26(24,25)21(2)3/h4-13H,1-3H3,(H,19,23)(H,20,22)
InChIKeyVQFBPJNBDOZGNF-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.69
Rot. Bonds6

About N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide

N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 18163583) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID18163583
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N3O4S/c1-13(19-18(23)14-8-5-4-6-9-14)17(22)20-15-10-7-11-16(12-15)26(24,25)21(2)3/h4-13H,1-3H3,(H,19,23)(H,20,22)
InChIKeyVQFBPJNBDOZGNF-UHFFFAOYSA-N
XLogP1.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55343497
4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 26917326
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate
CID 55305715
N-[(2S)-1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 41117900
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7790183
N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
CID 55779161
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 84603772

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide (CID 18163583) is N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is VQFBPJNBDOZGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(19-18(23)14-8-5-4-6-9-14)17(22)20-15-10-7-11-16(12-15)26(24,25)21(2)3/h4-13H,1-3H3,(H,19,23)(H,20,22).
What are the key properties of N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 18163583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).