N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide

C21H21NOS — CID 43022350

IUPACN-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
SMILESCC(NC(=O)CCc1ccsc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NOS/c1-16(22-21(23)12-7-17-13-14-24-15-17)18-8-10-20(11-9-18)19-5-3-2-4-6-19/h2-6,8-11,13-16H,7,12H2,1H3,(H,22,23)
InChIKeyIUOAOUMWEGXUES-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.23
Rot. Bonds6

About N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide

N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide (PubChem CID 43022350) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
PubChem CID43022350
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
SMILESCC(NC(=O)CCc1ccsc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NOS/c1-16(22-21(23)12-7-17-13-14-24-15-17)18-8-10-20(11-9-18)19-5-3-2-4-6-19/h2-6,8-11,13-16H,7,12H2,1H3,(H,22,23)
InChIKeyIUOAOUMWEGXUES-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 38917364
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 30826333
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
CID 78801224
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide (CID 43022350) is N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide is CC(NC(=O)CCc1ccsc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is IUOAOUMWEGXUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-16(22-21(23)12-7-17-13-14-24-15-17)18-8-10-20(11-9-18)19-5-3-2-4-6-19/h2-6,8-11,13-16H,7,12H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide?
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 335.47 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 43022350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).