N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide

C19H17NO2S — CID 32637907

IUPACN-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2sccc2-c2ccccc2)c1
InChIInChI=1S/C19H17NO2S/c1-22-13-14-6-5-9-16(12-14)20-19(21)18-17(10-11-23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyXWFLWANLHABOQT-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.81
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide

N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide (PubChem CID 32637907) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
PubChem CID32637907
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2sccc2-c2ccccc2)c1
InChIInChI=1S/C19H17NO2S/c1-22-13-14-6-5-9-16(12-14)20-19(21)18-17(10-11-23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyXWFLWANLHABOQT-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
methyl 2-[[4-[(3-phenylthiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 60606150
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-[3-(methoxymethyl)phenyl]-2-thiophen-2-ylacetamide
CID 33287828

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide (CID 32637907) is N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide is COCc1cccc(NC(=O)c2sccc2-c2ccccc2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is XWFLWANLHABOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-13-14-6-5-9-16(12-14)20-19(21)18-17(10-11-23-18)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide?
N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 32637907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).