N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide

C13H21N3O4S — CID 119693183

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
SMILESCCOc1ccc(NC(=O)CNC)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-5-20-11-7-6-10(15-13(17)9-14-2)8-12(11)21(18,19)16(3)4/h6-8,14H,5,9H2,1-4H3,(H,15,17)
InChIKeyQWTINOFVABWZBW-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.49
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide (PubChem CID 119693183) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
PubChem CID119693183
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
SMILESCCOc1ccc(NC(=O)CNC)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-5-20-11-7-6-10(15-13(17)9-14-2)8-12(11)21(18,19)16(3)4/h6-8,14H,5,9H2,1-4H3,(H,15,17)
InChIKeyQWTINOFVABWZBW-UHFFFAOYSA-N
XLogP0.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide (CID 119693183) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide is CCOc1ccc(NC(=O)CNC)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide?
The InChIKey is QWTINOFVABWZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-5-20-11-7-6-10(15-13(17)9-14-2)8-12(11)21(18,19)16(3)4/h6-8,14H,5,9H2,1-4H3,(H,15,17).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide has a molecular weight of 315.40 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119693183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).