2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide

C17H28N4O4S — CID 18096539

IUPAC2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C17H28N4O4S/c1-5-21(6-2)26(24,25)15-9-7-8-14(10-15)18-12-16(22)20-17(23)19-11-13(3)4/h7-10,13,18H,5-6,11-12H2,1-4H3,(H2,19,20,22,23)
InChIKeyGGNADQGBSRNAJE-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.61
Rot. Bonds9

About 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide

2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 18096539) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID18096539
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C17H28N4O4S/c1-5-21(6-2)26(24,25)15-9-7-8-14(10-15)18-12-16(22)20-17(23)19-11-13(3)4/h7-10,13,18H,5-6,11-12H2,1-4H3,(H2,19,20,22,23)
InChIKeyGGNADQGBSRNAJE-UHFFFAOYSA-N
XLogP1.61
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 18096540
2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107125
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 24510641
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107205
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 9083540
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 24658023
2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 26505810

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide (CID 18096539) is 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide is CCN(CC)S(=O)(=O)c1cccc(NCC(=O)NC(=O)NCC(C)C)c1.
What is the InChIKey of 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is GGNADQGBSRNAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-5-21(6-2)26(24,25)15-9-7-8-14(10-15)18-12-16(22)20-17(23)19-11-13(3)4/h7-10,13,18H,5-6,11-12H2,1-4H3,(H2,19,20,22,23).
What are the key properties of 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 18096539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).