N-(4-phenylbutan-2-yl)thiophene-3-carboxamide

C15H17NOS — CID 78803823

IUPACN-(4-phenylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccsc1
InChIInChI=1S/C15H17NOS/c1-12(7-8-13-5-3-2-4-6-13)16-15(17)14-9-10-18-11-14/h2-6,9-12H,7-8H2,1H3,(H,16,17)
InChIKeyRTIFZJPZBFKZMO-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.50
Rot. Bonds5

About N-(4-phenylbutan-2-yl)thiophene-3-carboxamide

N-(4-phenylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 78803823) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)thiophene-3-carboxamide
PubChem CID78803823
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(4-phenylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccsc1
InChIInChI=1S/C15H17NOS/c1-12(7-8-13-5-3-2-4-6-13)16-15(17)14-9-10-18-11-14/h2-6,9-12H,7-8H2,1H3,(H,16,17)
InChIKeyRTIFZJPZBFKZMO-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)thiophene-3-carboxamide (CID 78803823) is N-(4-phenylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)thiophene-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccsc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is RTIFZJPZBFKZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12(7-8-13-5-3-2-4-6-13)16-15(17)14-9-10-18-11-14/h2-6,9-12H,7-8H2,1H3,(H,16,17).
What are the key properties of N-(4-phenylbutan-2-yl)thiophene-3-carboxamide?
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78803823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).