N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide

C19H17NOS — CID 68907909

IUPACN-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide
SMILESCc1cc(-c2cccs2)cc(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C19H17NOS/c1-13-11-16(17-9-6-10-22-17)12-14(2)18(13)20-19(21)15-7-4-3-5-8-15/h3-12H,1-2H3,(H,20,21)
InChIKeyJEMSSNWAFQNYPN-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.28
Rot. Bonds3

About N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide

N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide (PubChem CID 68907909) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide
PubChem CID68907909
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC NameN-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide
SMILESCc1cc(-c2cccs2)cc(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C19H17NOS/c1-13-11-16(17-9-6-10-22-17)12-14(2)18(13)20-19(21)15-7-4-3-5-8-15/h3-12H,1-2H3,(H,20,21)
InChIKeyJEMSSNWAFQNYPN-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(2-nitro-4-thiophen-2-ylphenyl)benzamide
CID 91406770
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
CID 122300522
2,3-dimethyl-5-thiophen-2-ylphenol
CID 173292102
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide
CID 57107564
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide?
The IUPAC name of N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide (CID 68907909) is N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide is Cc1cc(-c2cccs2)cc(C)c1NC(=O)c1ccccc1.
What is the InChIKey of N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide?
The InChIKey is JEMSSNWAFQNYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-13-11-16(17-9-6-10-22-17)12-14(2)18(13)20-19(21)15-7-4-3-5-8-15/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide?
N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide has a molecular weight of 307.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 68907909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).