2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H25N3O3S — CID 2500491

IUPAC2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c17-23(21,22)15-7-5-14(6-8-15)9-10-18-16(20)13-19-11-3-1-2-4-12-19/h5-8H,1-4,9-13H2,(H,18,20)(H2,17,21,22)
InChIKeyHSUSOLRNWZWDNP-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.87
Rot. Bonds6

About 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2500491) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2500491
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c17-23(21,22)15-7-5-14(6-8-15)9-10-18-16(20)13-19-11-3-1-2-4-12-19/h5-8H,1-4,9-13H2,(H,18,20)(H2,17,21,22)
InChIKeyHSUSOLRNWZWDNP-UHFFFAOYSA-N
XLogP0.87
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2500491) is 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HSUSOLRNWZWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c17-23(21,22)15-7-5-14(6-8-15)9-10-18-16(20)13-19-11-3-1-2-4-12-19/h5-8H,1-4,9-13H2,(H,18,20)(H2,17,21,22).
What are the key properties of 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2500491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).