N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide

C15H21NO2S — CID 2364189

IUPACN-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NC1CCCCCC1
InChIInChI=1S/C15H21NO2S/c17-13(14-8-5-11-19-14)9-10-15(18)16-12-6-3-1-2-4-7-12/h5,8,11-12H,1-4,6-7,9-10H2,(H,16,18)
InChIKeyLDPGGSHDXVGXSN-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.55
Rot. Bonds5

About N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide

N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 2364189) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID2364189
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NC1CCCCCC1
InChIInChI=1S/C15H21NO2S/c17-13(14-8-5-11-19-14)9-10-15(18)16-12-6-3-1-2-4-7-12/h5,8,11-12H,1-4,6-7,9-10H2,(H,16,18)
InChIKeyLDPGGSHDXVGXSN-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide (CID 2364189) is N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is LDPGGSHDXVGXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-13(14-8-5-11-19-14)9-10-15(18)16-12-6-3-1-2-4-7-12/h5,8,11-12H,1-4,6-7,9-10H2,(H,16,18).
What are the key properties of N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide?
N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 279.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2364189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).