2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide

C15H24N4O5S — CID 36587541

IUPAC2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNc1ccc(OCC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H24N4O5S/c1-5-16-15(21)18-14(20)10-17-11-7-8-12(24-6-2)13(9-11)25(22,23)19(3)4/h7-9,17H,5-6,10H2,1-4H3,(H2,16,18,20,21)
InChIKeyTUDKZFRLIDEARH-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.59
Rot. Bonds8

About 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide

2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide (PubChem CID 36587541) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide
PubChem CID36587541
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Name2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNc1ccc(OCC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H24N4O5S/c1-5-16-15(21)18-14(20)10-17-11-7-8-12(24-6-2)13(9-11)25(22,23)19(3)4/h7-9,17H,5-6,10H2,1-4H3,(H2,16,18,20,21)
InChIKeyTUDKZFRLIDEARH-UHFFFAOYSA-N
XLogP0.59
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
CID 55565700
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
CID 37218709
2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 55565900
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide
CID 55626665

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide (CID 36587541) is 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CNc1ccc(OCC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is TUDKZFRLIDEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-5-16-15(21)18-14(20)10-17-11-7-8-12(24-6-2)13(9-11)25(22,23)19(3)4/h7-9,17H,5-6,10H2,1-4H3,(H2,16,18,20,21).
What are the key properties of 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide?
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 36587541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).