N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide

C21H19NO2S — CID 90612882

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1C
InChIInChI=1S/C21H19NO2S/c1-14-8-9-17(12-15(14)2)21(24)22-13-18-10-11-19(25-18)20(23)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyFLQCHRQOWFCQJM-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.53
Rot. Bonds5

About N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide

N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide (PubChem CID 90612882) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
PubChem CID90612882
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1C
InChIInChI=1S/C21H19NO2S/c1-14-8-9-17(12-15(14)2)21(24)22-13-18-10-11-19(25-18)20(23)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyFLQCHRQOWFCQJM-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
N-[(5-benzoylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 90612908
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
N-[(5-benzoylthiophen-2-yl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90612947
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
N-[(5-benzoylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 90612940
1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
CID 90613154
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide (CID 90612882) is N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1C.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide?
The InChIKey is FLQCHRQOWFCQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-14-8-9-17(12-15(14)2)21(24)22-13-18-10-11-19(25-18)20(23)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide?
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide has a molecular weight of 349.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 90612882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).