N-butyl-N-phenyl-3-thiophen-3-ylpropanamide

C17H21NOS — CID 78801804

IUPACN-butyl-N-phenyl-3-thiophen-3-ylpropanamide
SMILESCCCCN(C(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-3-12-18(16-7-5-4-6-8-16)17(19)10-9-15-11-13-20-14-15/h4-8,11,13-14H,2-3,9-10,12H2,1H3
InChIKeyIUKKGLCLDCFNGP-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.51
Rot. Bonds7

About N-butyl-N-phenyl-3-thiophen-3-ylpropanamide

N-butyl-N-phenyl-3-thiophen-3-ylpropanamide (PubChem CID 78801804) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-butyl-N-phenyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-butyl-N-phenyl-3-thiophen-3-ylpropanamide
PubChem CID78801804
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-butyl-N-phenyl-3-thiophen-3-ylpropanamide
SMILESCCCCN(C(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-2-3-12-18(16-7-5-4-6-8-16)17(19)10-9-15-11-13-20-14-15/h4-8,11,13-14H,2-3,9-10,12H2,1H3
InChIKeyIUKKGLCLDCFNGP-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide
CID 119767431
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
3-(N-octanoylanilino)propanoic acid
CID 60831115
6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
CID 65291538
pentyl 5-(N-butylanilino)-5-oxopentanoate
CID 91707169
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-butyl-N-phenyl-3-thiophen-3-ylpropanamide (CID 78801804) is N-butyl-N-phenyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-butyl-N-phenyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-butyl-N-phenyl-3-thiophen-3-ylpropanamide is CCCCN(C(=O)CCc1ccsc1)c1ccccc1.
What is the InChIKey of N-butyl-N-phenyl-3-thiophen-3-ylpropanamide?
The InChIKey is IUKKGLCLDCFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-3-12-18(16-7-5-4-6-8-16)17(19)10-9-15-11-13-20-14-15/h4-8,11,13-14H,2-3,9-10,12H2,1H3.
What are the key properties of N-butyl-N-phenyl-3-thiophen-3-ylpropanamide?
N-butyl-N-phenyl-3-thiophen-3-ylpropanamide has a molecular weight of 287.43 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 78801804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).