N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide

C19H18N2O3S — CID 117088911

IUPACN-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3ccc(O)cc3)s2)cn1
InChIInChI=1S/C19H18N2O3S/c1-24-18-9-4-14(12-21-18)16-7-8-17(25-16)19(23)20-11-10-13-2-5-15(22)6-3-13/h2-9,12,22H,10-11H2,1H3,(H,20,23)
InChIKeyOINHXZZFNOXELB-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 117088911) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
PubChem CID117088911
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3ccc(O)cc3)s2)cn1
InChIInChI=1S/C19H18N2O3S/c1-24-18-9-4-14(12-21-18)16-7-8-17(25-16)19(23)20-11-10-13-2-5-15(22)6-3-13/h2-9,12,22H,10-11H2,1H3,(H,20,23)
InChIKeyOINHXZZFNOXELB-UHFFFAOYSA-N
XLogP3.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
CID 117087857
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
CID 69490597
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide (CID 117088911) is N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)NCCc3ccc(O)cc3)s2)cn1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is OINHXZZFNOXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-24-18-9-4-14(12-21-18)16-7-8-17(25-16)19(23)20-11-10-13-2-5-15(22)6-3-13/h2-9,12,22H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 117088911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).