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

C16H26N2O3S — CID 11099458

IUPAC2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCCCC(CCC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-5-14(6-4-2)16(19)18-12-11-13-7-9-15(10-8-13)22(17,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyREPZRYUMMQISHN-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.21
Rot. Bonds9

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

2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 11099458) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
PubChem CID11099458
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCCCC(CCC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-5-14(6-4-2)16(19)18-12-11-13-7-9-15(10-8-13)22(17,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyREPZRYUMMQISHN-UHFFFAOYSA-N
XLogP2.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (CID 11099458) is 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is CCCC(CCC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is REPZRYUMMQISHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-5-14(6-4-2)16(19)18-12-11-13-7-9-15(10-8-13)22(17,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 326.46 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 11099458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).