N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide

C13H21N3O3S — CID 60638627

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-9-6-7-11(20(18,19)16(4)5)8-12(9)15-13(17)10(2)14-3/h6-8,10,14H,1-5H3,(H,15,17)
InChIKeyXKOSKASQPUWEFC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.79
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide (PubChem CID 60638627) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
PubChem CID60638627
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-9-6-7-11(20(18,19)16(4)5)8-12(9)15-13(17)10(2)14-3/h6-8,10,14H,1-5H3,(H,15,17)
InChIKeyXKOSKASQPUWEFC-UHFFFAOYSA-N
XLogP0.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 16523214
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 17478550
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 26012390
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825202
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 16531533
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 167781077

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide (CID 60638627) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide?
The InChIKey is XKOSKASQPUWEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-6-7-11(20(18,19)16(4)5)8-12(9)15-13(17)10(2)14-3/h6-8,10,14H,1-5H3,(H,15,17).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide is sourced from PubChem (CID 60638627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).