3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

C17H20FNOS — CID 86960755

IUPAC3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)CC(C)c2cccc(F)c2)s1
InChIInChI=1S/C17H20FNOS/c1-11(14-5-4-6-15(18)10-14)9-17(20)19-13(3)16-8-7-12(2)21-16/h4-8,10-11,13H,9H2,1-3H3,(H,19,20)
InChIKeyPUIFAMUXCRZGQW-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.57
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 86960755) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID86960755
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)CC(C)c2cccc(F)c2)s1
InChIInChI=1S/C17H20FNOS/c1-11(14-5-4-6-15(18)10-14)9-17(20)19-13(3)16-8-7-12(2)21-16/h4-8,10-11,13H,9H2,1-3H3,(H,19,20)
InChIKeyPUIFAMUXCRZGQW-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
(2S)-2-[[(3R)-3-(3-fluorophenyl)butanoyl]amino]-3-methylbutanoic acid
CID 97323884
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
4-[3-(3-fluorophenyl)butanoylamino]-4-phenylbutanoic acid
CID 119200963
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
(3R)-3-(3-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]butanamide
CID 97214139
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide
CID 119569913
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (CID 86960755) is 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is Cc1ccc(C(C)NC(=O)CC(C)c2cccc(F)c2)s1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is PUIFAMUXCRZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-11(14-5-4-6-15(18)10-14)9-17(20)19-13(3)16-8-7-12(2)21-16/h4-8,10-11,13H,9H2,1-3H3,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 86960755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).