N-butyl-N-ethyl-3-thiophen-3-ylpropanamide

C13H21NOS — CID 86978752

IUPACN-butyl-N-ethyl-3-thiophen-3-ylpropanamide
SMILESCCCCN(CC)C(=O)CCc1ccsc1
InChIInChI=1S/C13H21NOS/c1-3-5-9-14(4-2)13(15)7-6-12-8-10-16-11-12/h8,10-11H,3-7,9H2,1-2H3
InChIKeyIRVQTLJYMSCNFO-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.33
Rot. Bonds7

About N-butyl-N-ethyl-3-thiophen-3-ylpropanamide

N-butyl-N-ethyl-3-thiophen-3-ylpropanamide (PubChem CID 86978752) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-thiophen-3-ylpropanamide
PubChem CID86978752
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-butyl-N-ethyl-3-thiophen-3-ylpropanamide
SMILESCCCCN(CC)C(=O)CCc1ccsc1
InChIInChI=1S/C13H21NOS/c1-3-5-9-14(4-2)13(15)7-6-12-8-10-16-11-12/h8,10-11H,3-7,9H2,1-2H3
InChIKeyIRVQTLJYMSCNFO-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-phenyl-3-thiophen-3-ylpropanamide
CID 78801804
N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
CID 113411312
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
3-heptylthiophene;3-hexylthiophene
CID 159152668
N-butyl-N-ethylpentanamide
CID 4629847
(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide
CID 46984908
3-heptylthiophene;oxaldehyde
CID 175169306
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
N,N-dihexyl-3-phenylpropanamide
CID 532921
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
CID 31970051

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-butyl-N-ethyl-3-thiophen-3-ylpropanamide (CID 86978752) is N-butyl-N-ethyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-butyl-N-ethyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-butyl-N-ethyl-3-thiophen-3-ylpropanamide is CCCCN(CC)C(=O)CCc1ccsc1.
What is the InChIKey of N-butyl-N-ethyl-3-thiophen-3-ylpropanamide?
The InChIKey is IRVQTLJYMSCNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-5-9-14(4-2)13(15)7-6-12-8-10-16-11-12/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-3-thiophen-3-ylpropanamide?
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide has a molecular weight of 239.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 86978752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).