5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

C21H18N2O2S — CID 56934322

IUPAC5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(-c3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C21H18N2O2S/c1-23(14-16-4-3-5-18(12-16)25-2)21(24)20-11-10-19(26-20)17-8-6-15(13-22)7-9-17/h3-12H,14H2,1-2H3
InChIKeyLXXGTQWNGYUTCG-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.57
Rot. Bonds5

About 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934322) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934322
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(-c3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C21H18N2O2S/c1-23(14-16-4-3-5-18(12-16)25-2)21(24)20-11-10-19(26-20)17-8-6-15(13-22)7-9-17/h3-12H,14H2,1-2H3
InChIKeyLXXGTQWNGYUTCG-UHFFFAOYSA-N
XLogP4.57
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Phenyl-hexyl)-carbamic acid 3-(3-carbamoyl-5-methyl-thiophen-2-yl)-phenyl ester
CID 46916520
N-Ethyl-4-[(3-methoxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44306787
5-Cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide
CID 2740193
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111967
5-(2-Fluoro-3-methoxyphenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56649596
N-(3-Methoxybenzyl)-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934037
5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934038
N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934039
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 56934182
N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934183
N-benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934185
5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934323

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934322) is 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is COc1cccc(CN(C)C(=O)c2ccc(-c3ccc(C#N)cc3)s2)c1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is LXXGTQWNGYUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-23(14-16-4-3-5-18(12-16)25-2)21(24)20-11-10-19(26-20)17-8-6-15(13-22)7-9-17/h3-12H,14H2,1-2H3.
What are the key properties of 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).