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

C20H19NO3S — CID 56934324

IUPACN-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)cc1
InChIInChI=1S/C20H19NO3S/c1-21(13-14-4-3-5-16(22)12-14)20(23)19-11-10-18(25-19)15-6-8-17(24-2)9-7-15/h3-12,22H,13H2,1-2H3
InChIKeyJJLBGXUIOAUPPK-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.40
Rot. Bonds5

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

N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 56934324) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID56934324
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)cc1
InChIInChI=1S/C20H19NO3S/c1-21(13-14-4-3-5-16(22)12-14)20(23)19-11-10-18(25-19)15-6-8-17(24-2)9-7-15/h3-12,22H,13H2,1-2H3
InChIKeyJJLBGXUIOAUPPK-UHFFFAOYSA-N
XLogP4.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
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-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4879883
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
5-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934040
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 56934182
N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934183

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide (CID 56934324) is N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)cc1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is JJLBGXUIOAUPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-21(13-14-4-3-5-16(22)12-14)20(23)19-11-10-18(25-19)15-6-8-17(24-2)9-7-15/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).