N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide

C19H18N2O2S — CID 11702829

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(-c3ccncc3)s2)c1
InChIInChI=1S/C19H18N2O2S/c1-23-16-4-2-3-14(13-16)7-12-21-19(22)18-6-5-17(24-18)15-8-10-20-11-9-15/h2-6,8-11,13H,7,12H2,1H3,(H,21,22)
InChIKeyIERMUUYUZYNTNV-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.79
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 11702829) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID11702829
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(-c3ccncc3)s2)c1
InChIInChI=1S/C19H18N2O2S/c1-23-16-4-2-3-14(13-16)7-12-21-19(22)18-6-5-17(24-18)15-8-10-20-11-9-15/h2-6,8-11,13H,7,12H2,1H3,(H,21,22)
InChIKeyIERMUUYUZYNTNV-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 59777072
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235637
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 11645815

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 11702829) is N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(-c3ccncc3)s2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is IERMUUYUZYNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-4-2-3-14(13-16)7-12-21-19(22)18-6-5-17(24-18)15-8-10-20-11-9-15/h2-6,8-11,13H,7,12H2,1H3,(H,21,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 11702829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).