N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

C26H20ClNO3S — CID 19492917

IUPACN-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H20ClNO3S/c1-17-7-10-21(11-8-17)31-15-18-13-24(32-16-18)26(30)28-23-12-9-20(27)14-22(23)25(29)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3,(H,28,30)
InChIKeyPMCJHPKJDNZNHA-UHFFFAOYSA-N
MW461.97 g/mol
LogP6.77
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19492917) has the molecular formula C26H20ClNO3S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19492917
Molecular FormulaC26H20ClNO3S
Molecular Weight461.97 g/mol
Exact Mass461.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H20ClNO3S/c1-17-7-10-21(11-8-17)31-15-18-13-24(32-16-18)26(30)28-23-12-9-20(27)14-22(23)25(29)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3,(H,28,30)
InChIKeyPMCJHPKJDNZNHA-UHFFFAOYSA-N
XLogP6.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469408
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490937
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503393
4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19505101
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19492917) is N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is PMCJHPKJDNZNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO3S/c1-17-7-10-21(11-8-17)31-15-18-13-24(32-16-18)26(30)28-23-12-9-20(27)14-22(23)25(29)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3,(H,28,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 461.97 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19492917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).