2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide

C15H24N2O3S — CID 10946908

IUPAC2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-5-13(6-4-2)15(18)17-11-12-7-9-14(10-8-12)21(16,19)20/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyVQEFALSVKDRQBJ-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.17
Rot. Bonds8

About 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide

2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide (PubChem CID 10946908) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
PubChem CID10946908
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-5-13(6-4-2)15(18)17-11-12-7-9-14(10-8-12)21(16,19)20/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyVQEFALSVKDRQBJ-UHFFFAOYSA-N
XLogP2.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The IUPAC name of 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide (CID 10946908) is 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The canonical SMILES for 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide is CCCC(CCC)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
The InChIKey is VQEFALSVKDRQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-5-13(6-4-2)15(18)17-11-12-7-9-14(10-8-12)21(16,19)20/h7-10,13H,3-6,11H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide?
2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide has a molecular weight of 312.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[(4-sulfamoylphenyl)methyl]pentanamide is sourced from PubChem (CID 10946908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).