2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide

C12H18N4O4S — CID 60848496

IUPAC2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CNC(=O)CN)c1C
InChIInChI=1S/C12H18N4O4S/c1-7-3-9(21(14,19)20)4-10(8(7)2)16-12(18)6-15-11(17)5-13/h3-4H,5-6,13H2,1-2H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyYIFHLSYTBWUDIE-UHFFFAOYSA-N
MW314.37 g/mol
LogP-1.04
Rot. Bonds5

About 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide (PubChem CID 60848496) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
PubChem CID60848496
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CNC(=O)CN)c1C
InChIInChI=1S/C12H18N4O4S/c1-7-3-9(21(14,19)20)4-10(8(7)2)16-12(18)6-15-11(17)5-13/h3-4H,5-6,13H2,1-2H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyYIFHLSYTBWUDIE-UHFFFAOYSA-N
XLogP-1.04
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
2-amino-N-[2-(2-bromo-4-sulfamoylanilino)-2-oxoethyl]acetamide
CID 10666501
2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141449
1-butyl-3-(2,3-dimethyl-5-sulfamoylphenyl)urea
CID 60654305
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678440
2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 34603259
4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
CID 9257617

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide (CID 60848496) is 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CNC(=O)CN)c1C.
What is the InChIKey of 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide?
The InChIKey is YIFHLSYTBWUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-7-3-9(21(14,19)20)4-10(8(7)2)16-12(18)6-15-11(17)5-13/h3-4H,5-6,13H2,1-2H3,(H,15,17)(H,16,18)(H2,14,19,20).
What are the key properties of 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide has a molecular weight of 314.37 g/mol, XLogP of -1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 60848496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).