N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide

C21H21NOS — CID 35180101

IUPACN-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCc1ccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H21NOS/c1-3-17-9-11-19(12-10-17)22(15-20-8-5-13-24-20)21(23)18-7-4-6-16(2)14-18/h4-14H,3,15H2,1-2H3
InChIKeyCCRVVQSNPUWAJU-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.47
Rot. Bonds5

About N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide

N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 35180101) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID35180101
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCc1ccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H21NOS/c1-3-17-9-11-19(12-10-17)22(15-20-8-5-13-24-20)21(23)18-7-4-6-16(2)14-18/h4-14H,3,15H2,1-2H3
InChIKeyCCRVVQSNPUWAJU-UHFFFAOYSA-N
XLogP5.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 35180799
N-(4-ethylphenyl)-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35180793
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17014005
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 4784886

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 35180101) is N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide is CCc1ccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CCRVVQSNPUWAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-3-17-9-11-19(12-10-17)22(15-20-8-5-13-24-20)21(23)18-7-4-6-16(2)14-18/h4-14H,3,15H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide?
N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 335.47 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 35180101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).