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

C21H17NO3S — CID 3119793

IUPACN-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C=CC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H17NO3S/c1-25-18-11-4-15(5-12-18)6-13-19(23)16-7-9-17(10-8-16)22-21(24)20-3-2-14-26-20/h2-14H,1H3,(H,22,24)
InChIKeyAFHZOPUMLSITHH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.91
Rot. Bonds6

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

N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide (PubChem CID 3119793) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
PubChem CID3119793
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC NameN-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C=CC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H17NO3S/c1-25-18-11-4-15(5-12-18)6-13-19(23)16-7-9-17(10-8-16)22-21(24)20-3-2-14-26-20/h2-14H,1H3,(H,22,24)
InChIKeyAFHZOPUMLSITHH-UHFFFAOYSA-N
XLogP4.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 2865585
N-[4-[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830508
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[(Z)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]anilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 23094515
N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]adamantane-1-carboxamide
CID 24684576
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide (CID 3119793) is N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide is COc1ccc(C=CC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AFHZOPUMLSITHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-25-18-11-4-15(5-12-18)6-13-19(23)16-7-9-17(10-8-16)22-21(24)20-3-2-14-26-20/h2-14H,1H3,(H,22,24).
What are the key properties of N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide?
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3119793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).