4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide

C22H21NO2S — CID 7969004

IUPAC4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
SMILESCc1cc(C(=O)CCC(=O)Nc2ccc(-c3ccccc3)cc2)c(C)s1
InChIInChI=1S/C22H21NO2S/c1-15-14-20(16(2)26-15)21(24)12-13-22(25)23-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyQNFHCIRZRBEJNQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.63
Rot. Bonds6

About 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide

4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide (PubChem CID 7969004) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
PubChem CID7969004
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
SMILESCc1cc(C(=O)CCC(=O)Nc2ccc(-c3ccccc3)cc2)c(C)s1
InChIInChI=1S/C22H21NO2S/c1-15-14-20(16(2)26-15)21(24)12-13-22(25)23-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyQNFHCIRZRBEJNQ-UHFFFAOYSA-N
XLogP5.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580
N-[4-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]phenyl]-3-methylbutanamide
CID 33031537
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzoate
CID 26886717
N-(3,5-dimethoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 17426438
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-3-nitrophenyl)-4-oxobutanamide
CID 26575505
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2469868
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxobutanamide
CID 42488044
4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
CID 9102600
4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide
CID 18107073

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide (CID 7969004) is 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide is Cc1cc(C(=O)CCC(=O)Nc2ccc(-c3ccccc3)cc2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide?
The InChIKey is QNFHCIRZRBEJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-15-14-20(16(2)26-15)21(24)12-13-22(25)23-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide?
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide has a molecular weight of 363.48 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide is sourced from PubChem (CID 7969004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).