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

C20H15NO3S — CID 155554859

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 NameN-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
PubChem CID155554859
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC NameN-[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
XLogP4.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).