5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide

C20H18N2O3S — CID 117087857

IUPAC5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NCCc3ccc(O)cc3)s2)cc1
InChIInChI=1S/C20H18N2O3S/c21-19(24)15-5-3-14(4-6-15)17-9-10-18(26-17)20(25)22-12-11-13-1-7-16(23)8-2-13/h1-10,23H,11-12H2,(H2,21,24)(H,22,25)
InChIKeyIHOPZNYTEAABLX-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.19
Rot. Bonds6

About 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide

5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 117087857) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID117087857
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NCCc3ccc(O)cc3)s2)cc1
InChIInChI=1S/C20H18N2O3S/c21-19(24)15-5-3-14(4-6-15)17-9-10-18(26-17)20(25)22-12-11-13-1-7-16(23)8-2-13/h1-10,23H,11-12H2,(H2,21,24)(H,22,25)
InChIKeyIHOPZNYTEAABLX-UHFFFAOYSA-N
XLogP3.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
CID 117088911
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 47098883
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 52680419
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
methyl 5-[2-(4-thiophen-2-ylphenyl)ethylcarbamoyl]thiophene-2-carboxylate
CID 69490597
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide (CID 117087857) is 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide is NC(=O)c1ccc(-c2ccc(C(=O)NCCc3ccc(O)cc3)s2)cc1.
What is the InChIKey of 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is IHOPZNYTEAABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c21-19(24)15-5-3-14(4-6-15)17-9-10-18(26-17)20(25)22-12-11-13-1-7-16(23)8-2-13/h1-10,23H,11-12H2,(H2,21,24)(H,22,25).
What are the key properties of 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide?
5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 117087857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).