2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide

C26H21NO2S — CID 157352510

IUPAC2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C26H21NO2S/c1-18-8-2-3-11-21(18)26(29)27-23-13-5-4-12-22(23)24(28)17-19-9-6-10-20(16-19)25-14-7-15-30-25/h2-16H,17H2,1H3,(H,27,29)
InChIKeyBHRVVUHFRHVVTA-UHFFFAOYSA-N
MW411.53 g/mol
LogP6.40
Rot. Bonds6

About 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide

2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide (PubChem CID 157352510) has the molecular formula C26H21NO2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide
PubChem CID157352510
Molecular FormulaC26H21NO2S
Molecular Weight411.53 g/mol
Exact Mass411.13
IUPAC Name2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C26H21NO2S/c1-18-8-2-3-11-21(18)26(29)27-23-13-5-4-12-22(23)24(28)17-19-9-6-10-20(16-19)25-14-7-15-30-25/h2-16H,17H2,1H3,(H,27,29)
InChIKeyBHRVVUHFRHVVTA-UHFFFAOYSA-N
XLogP6.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[2-[3-[(Z)-prop-1-enyl]phenyl]acetyl]phenyl]benzamide
CID 159369653
2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
CID 158896086
ethyl 3-[3-[[2-[(4-thiophen-2-ylbenzoyl)amino]benzoyl]amino]phenyl]propanoate
CID 138491018
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
(3-thiophen-2-ylphenyl)methanol
CID 7537586
2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide
CID 149040936
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
CID 162047234
N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
CID 158380804
2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
CID 75477996
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide
CID 149040508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide (CID 157352510) is 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccccc1C(=O)Cc1cccc(-c2cccs2)c1.
What is the InChIKey of 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide?
The InChIKey is BHRVVUHFRHVVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2S/c1-18-8-2-3-11-21(18)26(29)27-23-13-5-4-12-22(23)24(28)17-19-9-6-10-20(16-19)25-14-7-15-30-25/h2-16H,17H2,1H3,(H,27,29).
What are the key properties of 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide?
2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide has a molecular weight of 411.53 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide is sourced from PubChem (CID 157352510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).