N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide

Name: N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₅NO₃S — CID 155554859

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide

SMILESO=C(/C=C/c1cccc(O)c1)c1ccc(NC(=O)c2cccs2)cc1

InChIInChI=1S/C20H15NO3S/c22-17-4-1-3-14(13-17)6-11-18(23)15-7-9-16(10-8-15)21-20(24)19-5-2-12-25-19/h1-13,22H,(H,21,24)/b11-6+

InChIKeyHXVYLKIKSIXQSO-IZZDOVSWSA-N

MW349.41 g/mol

LogP4.60

Rot. Bonds5

About N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide

N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide (PubChem CID 155554859) has the molecular formula C₂₀H₁₅NO₃S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name	N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
PubChem CID	155554859
Molecular Formula	C₂₀H₁₅NO₃S
Molecular Weight	349.41 g/mol
Exact Mass	349.08
IUPAC Name	N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
SMILES	O=C(/C=C/c1cccc(O)c1)c1ccc(NC(=O)c2cccs2)cc1
InChI	InChI=1S/C20H15NO3S/c22-17-4-1-3-14(13-17)6-11-18(23)15-7-9-16(10-8-15)21-20(24)19-5-2-12-25-19/h1-13,22H,(H,21,24)/b11-6+
InChIKey	HXVYLKIKSIXQSO-IZZDOVSWSA-N
XLogP	4.60
TPSA	66.40 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.41
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide (CID 155554859) is N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide is O=C(/C=C/c1cccc(O)c1)c1ccc(NC(=O)c2cccs2)cc1.

What is the InChIKey of N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?

The InChIKey is HXVYLKIKSIXQSO-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H15NO3S/c22-17-4-1-3-14(13-17)6-11-18(23)15-7-9-16(10-8-15)21-20(24)19-5-2-12-25-19/h1-13,22H,(H,21,24)/b11-6+.

What are the key properties of N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?

N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 155554859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155554859 — identifiers, structure, computed properties (public domain)

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