2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide

C12H16N4O3S — CID 133383062

IUPAC2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(S(N)(=O)=O)cc1C#N
InChIInChI=1S/C12H16N4O3S/c1-2-5-15-12(17)8-16-11-4-3-10(20(14,18)19)6-9(11)7-13/h3-4,6,16H,2,5,8H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyQLPIXGZEXINVFI-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.14
Rot. Bonds6

About 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide

2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide (PubChem CID 133383062) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide
PubChem CID133383062
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(S(N)(=O)=O)cc1C#N
InChIInChI=1S/C12H16N4O3S/c1-2-5-15-12(17)8-16-11-4-3-10(20(14,18)19)6-9(11)7-13/h3-4,6,16H,2,5,8H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyQLPIXGZEXINVFI-UHFFFAOYSA-N
XLogP0.14
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(2-sulfamoylanilino)acetamide
CID 43567437
2-(4-amino-3-cyanoanilino)-N-propylacetamide
CID 113323851
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
3-cyano-4-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]benzenesulfonamide
CID 71996747
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
3-cyano-4-[2-(4-propan-2-ylphenoxy)ethylamino]benzenesulfonamide
CID 133317459
1-propyl-3-[4-sulfamoyl-2-(trifluoromethylsulfonyl)phenyl]urea
CID 166400127
3-cyano-4-[2-(2,4-difluorophenyl)ethylamino]benzenesulfonamide
CID 71871110
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
3-cyano-4-[3-(4-methoxyphenyl)butylamino]benzenesulfonamide
CID 133353575

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide?
The IUPAC name of 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide (CID 133383062) is 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide?
The canonical SMILES for 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide is CCCNC(=O)CNc1ccc(S(N)(=O)=O)cc1C#N.
What is the InChIKey of 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide?
The InChIKey is QLPIXGZEXINVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-5-15-12(17)8-16-11-4-3-10(20(14,18)19)6-9(11)7-13/h3-4,6,16H,2,5,8H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide?
2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide has a molecular weight of 296.35 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-sulfamoylanilino)-N-propylacetamide is sourced from PubChem (CID 133383062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).