N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide

C22H22N2O2S — CID 110296604

IUPACN-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2cccs2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-15-5-7-17(8-6-15)21(14-20-4-3-13-27-20)22(26)24-19-11-9-18(10-12-19)23-16(2)25/h3-13,21H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUZHMVUPNZZSZPL-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.98
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide

N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 110296604) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
PubChem CID110296604
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2cccs2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-15-5-7-17(8-6-15)21(14-20-4-3-13-27-20)22(26)24-19-11-9-18(10-12-19)23-16(2)25/h3-13,21H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUZHMVUPNZZSZPL-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110306927
N,2-bis(4-methylphenyl)butanamide
CID 2750915
(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8516839
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpropanamide
CID 110296595
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-methylphenyl)acetamide
CID 7684
4-acetamido-N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)benzamide
CID 3605112
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide (CID 110296604) is N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide is CC(=O)Nc1ccc(NC(=O)C(Cc2cccs2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is UZHMVUPNZZSZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-5-7-17(8-6-15)21(14-20-4-3-13-27-20)22(26)24-19-11-9-18(10-12-19)23-16(2)25/h3-13,21H,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 378.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110296604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).