N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide

C14H21NO2S — CID 110298043

IUPACN-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
SMILESCCCCN(C)C(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-3-4-10-15(2)14(17)9-5-7-12(16)13-8-6-11-18-13/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyYANHWJJYWQPDOX-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.36
Rot. Bonds8

About N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide

N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110298043) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110298043
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
SMILESCCCCN(C)C(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-3-4-10-15(2)14(17)9-5-7-12(16)13-8-6-11-18-13/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyYANHWJJYWQPDOX-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
4-pentylsulfanyl-1-thiophen-2-ylbutan-1-one
CID 107752475
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
N-(2-cyanoethyl)-N-methyl-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 60609811
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
N-butylthiophene-2-carbohydrazide
CID 54350563
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide (CID 110298043) is N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide is CCCCN(C)C(=O)CCCC(=O)c1cccs1.
What is the InChIKey of N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is YANHWJJYWQPDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-4-10-15(2)14(17)9-5-7-12(16)13-8-6-11-18-13/h6,8,11H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide?
N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 267.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110298043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).