N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide

C13H19NO2S — CID 110298004

IUPACN-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
SMILESCC(C)CNC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-10(2)9-14-13(16)7-3-5-11(15)12-6-4-8-17-12/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,16)
InChIKeyMLAORWNIWJXBLS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.87
Rot. Bonds7

About N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide

N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110298004) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110298004
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
SMILESCC(C)CNC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-10(2)9-14-13(16)7-3-5-11(15)12-6-4-8-17-12/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,16)
InChIKeyMLAORWNIWJXBLS-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110301508
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
CID 94259803
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
5-oxo-N-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpentanamide
CID 30768610
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide (CID 110298004) is N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide is CC(C)CNC(=O)CCCC(=O)c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is MLAORWNIWJXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)9-14-13(16)7-3-5-11(15)12-6-4-8-17-12/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide?
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 253.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110298004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).