2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

C13H21N3O3S — CID 61259711

IUPAC2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-12(14)13(17)15-10-5-7-11(8-6-10)20(18,19)16-9(2)3/h5-9,12,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyROHJKKSIJQZWLW-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 61259711) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
PubChem CID61259711
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-12(14)13(17)15-10-5-7-11(8-6-10)20(18,19)16-9(2)3/h5-9,12,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyROHJKKSIJQZWLW-UHFFFAOYSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
ethyl (E)-4-oxo-4-[4-(propan-2-ylsulfamoyl)anilino]but-2-enoate
CID 6231812
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (CID 61259711) is 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is CCC(N)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is ROHJKKSIJQZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-12(14)13(17)15-10-5-7-11(8-6-10)20(18,19)16-9(2)3/h5-9,12,16H,4,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 299.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 61259711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).