N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide

C16H26N2O3S — CID 4138535

IUPACN-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-4-5-6-12-17-16(19)11-13-18-22(20,21)15-9-7-14(2)8-10-15/h7-10,18H,3-6,11-13H2,1-2H3,(H,17,19)
InChIKeyKWFKRNLLADQZQR-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.36
Rot. Bonds10

About N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide

N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 4138535) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID4138535
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-4-5-6-12-17-16(19)11-13-18-22(20,21)15-9-7-14(2)8-10-15/h7-10,18H,3-6,11-13H2,1-2H3,(H,17,19)
InChIKeyKWFKRNLLADQZQR-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 4138535) is N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide is CCCCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is KWFKRNLLADQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-4-5-6-12-17-16(19)11-13-18-22(20,21)15-9-7-14(2)8-10-15/h7-10,18H,3-6,11-13H2,1-2H3,(H,17,19).
What are the key properties of N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 326.46 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4138535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).