N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide

C14H20ClNO2S — CID 78785121

IUPACN-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide
SMILESCCCCN(CC)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H20ClNO2S/c1-3-5-10-16(4-2)14(18)9-6-11(17)12-7-8-13(15)19-12/h7-8H,3-6,9-10H2,1-2H3
InChIKeyFOCBAFCZGJQZLC-UHFFFAOYSA-N
MW301.84 g/mol
LogP4.01
Rot. Bonds8

About N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide

N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide (PubChem CID 78785121) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide.

Molecular Properties

Compound NameN-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide
PubChem CID78785121
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC NameN-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide
SMILESCCCCN(CC)C(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H20ClNO2S/c1-3-5-10-16(4-2)14(18)9-6-11(17)12-7-8-13(15)19-12/h7-8H,3-6,9-10H2,1-2H3
InChIKeyFOCBAFCZGJQZLC-UHFFFAOYSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511815
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 78783696
N-butyl-N-ethylpentanamide
CID 4629847
4-(5-chlorothiophen-2-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxobutanamide
CID 55369935
N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 31039879
1-(5-chlorothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;ethane
CID 144689529
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55661305

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide?
The IUPAC name of N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide (CID 78785121) is N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide.
What is the SMILES notation for N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide?
The canonical SMILES for N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide is CCCCN(CC)C(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide?
The InChIKey is FOCBAFCZGJQZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-3-5-10-16(4-2)14(18)9-6-11(17)12-7-8-13(15)19-12/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide?
N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide has a molecular weight of 301.84 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide is sourced from PubChem (CID 78785121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).