N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide

C19H17NO3S — CID 17449024

IUPACN-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C19H17NO3S/c1-22-15-10-14(11-16(12-15)23-2)20-19(21)18-17(8-9-24-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyZESVHBDTTNUOOR-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.68
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide

N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide (PubChem CID 17449024) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
PubChem CID17449024
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2-c2ccccc2)cc(OC)c1
InChIInChI=1S/C19H17NO3S/c1-22-15-10-14(11-16(12-15)23-2)20-19(21)18-17(8-9-24-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyZESVHBDTTNUOOR-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 32637907
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
methyl 2-[[4-[(3-phenylthiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 60606150
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 78792257
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108
N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide
CID 75447520

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide (CID 17449024) is N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide is COc1cc(NC(=O)c2sccc2-c2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is ZESVHBDTTNUOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-15-10-14(11-16(12-15)23-2)20-19(21)18-17(8-9-24-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide?
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 17449024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).