2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide

C15H24N2O3S — CID 81185850

IUPAC2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-9-17-15(18)12(3)21(19,20)13-7-8-14(16)11(2)10-13/h7-8,10,12H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyFWKZKNOGJBWIJZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.05
Rot. Bonds7

About 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide

2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide (PubChem CID 81185850) 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-pentylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
PubChem CID81185850
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-4-5-6-9-17-15(18)12(3)21(19,20)13-7-8-14(16)11(2)10-13/h7-8,10,12H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyFWKZKNOGJBWIJZ-UHFFFAOYSA-N
XLogP2.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81184621
2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81185373
2-(2-amino-4-bromophenyl)sulfonyl-N-butylpropanamide
CID 81184579
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 81201903
2-methyl-4-pentan-2-ylsulfonylaniline
CID 107889539
4-amino-3-methyl-N-octylbenzamide
CID 115565914
2-(4-amino-3-methylphenyl)sulfonylbutanamide
CID 81182268
2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
CID 61366686
1-(4-amino-3-bromophenyl)sulfonyl-3-butylurea
CID 116645809
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide (CID 81185850) is 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide is CCCCCNC(=O)C(C)S(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide?
The InChIKey is FWKZKNOGJBWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-5-6-9-17-15(18)12(3)21(19,20)13-7-8-14(16)11(2)10-13/h7-8,10,12H,4-6,9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide?
2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 2.05, 7 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-pentylpropanamide is sourced from PubChem (CID 81185850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).