2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

C15H24N2O3S — CID 81185373

IUPAC2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-6-15(4,5)17-14(18)11(3)21(19,20)12-7-8-13(16)10(2)9-12/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeyOOHBSYKXFXQQRN-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 81185373) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID81185373
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-6-15(4,5)17-14(18)11(3)21(19,20)12-7-8-13(16)10(2)9-12/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeyOOHBSYKXFXQQRN-UHFFFAOYSA-N
XLogP2.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81187150
2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81185850
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81201862
2-(4-amino-3-methylphenyl)sulfonylbutanamide
CID 81182268
2-methyl-4-pentan-2-ylsulfonylaniline
CID 107889539
2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
CID 61366686
2-(4-amino-3-methylphenyl)sulfonylpropanenitrile
CID 81182427
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] 3-amino-4-methylbenzoate
CID 60720823
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 43302653
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide
CID 66179306

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (CID 81185373) is 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)S(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is OOHBSYKXFXQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-15(4,5)17-14(18)11(3)21(19,20)12-7-8-13(16)10(2)9-12/h7-9,11H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 81185373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).