N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide

C14H13NO2S — CID 67712602

IUPACN-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(/C=C/CO)c1)c1cccs1
InChIInChI=1S/C14H13NO2S/c16-8-2-5-11-4-1-6-12(10-11)15-14(17)13-7-3-9-18-13/h1-7,9-10,16H,8H2,(H,15,17)/b5-2+
InChIKeyNLENAHQPCKFDRW-GORDUTHDSA-N
MW259.33 g/mol
LogP3.01
Rot. Bonds4

About N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide

N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide (PubChem CID 67712602) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide
PubChem CID67712602
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(/C=C/CO)c1)c1cccs1
InChIInChI=1S/C14H13NO2S/c16-8-2-5-11-4-1-6-12(10-11)15-14(17)13-7-3-9-18-13/h1-7,9-10,16H,8H2,(H,15,17)/b5-2+
InChIKeyNLENAHQPCKFDRW-GORDUTHDSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 75534311
4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712801
4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712313
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
CID 77340421
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
CID 67712663
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide (CID 67712602) is N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(/C=C/CO)c1)c1cccs1.
What is the InChIKey of N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide?
The InChIKey is NLENAHQPCKFDRW-GORDUTHDSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-8-2-5-11-4-1-6-12(10-11)15-14(17)13-7-3-9-18-13/h1-7,9-10,16H,8H2,(H,15,17)/b5-2+.
What are the key properties of N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide?
N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 67712602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).