3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

C16H19N3O3S — CID 19204194

IUPAC3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)11-16(20)18-13-6-8-14(9-7-13)23(21,22)19-15-5-3-4-10-17-15/h3-10,12H,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUQDYTFURFRMNCM-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.87
Rot. Bonds6

About 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 19204194) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID19204194
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)11-16(20)18-13-6-8-14(9-7-13)23(21,22)19-15-5-3-4-10-17-15/h3-10,12H,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUQDYTFURFRMNCM-UHFFFAOYSA-N
XLogP2.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 71300028
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (CID 19204194) is 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is UQDYTFURFRMNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12(2)11-16(20)18-13-6-8-14(9-7-13)23(21,22)19-15-5-3-4-10-17-15/h3-10,12H,11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 333.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 19204194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).