3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide

C13H19N3O4S — CID 2082690

IUPAC3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H19N3O4S/c1-10(17)14-9-8-13(18)15-11-4-6-12(7-5-11)21(19,20)16(2)3/h4-7H,8-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyRPCCGLQPCYEGEI-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.40
Rot. Bonds6

About 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide

3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 2082690) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID2082690
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H19N3O4S/c1-10(17)14-9-8-13(18)15-11-4-6-12(7-5-11)21(19,20)16(2)3/h4-7H,8-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyRPCCGLQPCYEGEI-UHFFFAOYSA-N
XLogP0.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-phenylpropanamide
CID 7946185
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9289313
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 8638441
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 2082690) is 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide is CC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is RPCCGLQPCYEGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10(17)14-9-8-13(18)15-11-4-6-12(7-5-11)21(19,20)16(2)3/h4-7H,8-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 313.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2082690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).