2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide

C16H26N4O4S — CID 8771644

IUPAC2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNCC(=O)NC)ccc1C
InChIInChI=1S/C16H26N4O4S/c1-5-20(6-2)25(23,24)14-9-13(8-7-12(14)3)19-16(22)11-18-10-15(21)17-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,21)(H,19,22)
InChIKeyVJRBLDHBSXWTGC-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.30
Rot. Bonds9

About 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8771644) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8771644
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNCC(=O)NC)ccc1C
InChIInChI=1S/C16H26N4O4S/c1-5-20(6-2)25(23,24)14-9-13(8-7-12(14)3)19-16(22)11-18-10-15(21)17-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,21)(H,19,22)
InChIKeyVJRBLDHBSXWTGC-UHFFFAOYSA-N
XLogP0.30
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772027
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711948
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
methyl 3-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]sulfanylpropanoate
CID 8785479
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 30837665

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide (CID 8771644) is 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CNCC(=O)NC)ccc1C.
What is the InChIKey of 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is VJRBLDHBSXWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-5-20(6-2)25(23,24)14-9-13(8-7-12(14)3)19-16(22)11-18-10-15(21)17-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,21)(H,19,22).
What are the key properties of 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 370.48 g/mol, XLogP of 0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8771644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).