N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide

C23H17ClN2O2S — CID 1348159

IUPACN-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2S/c1-14-11-12-16(13-18(14)26-22(27)15-7-3-2-4-8-15)25-23(28)21-20(24)17-9-5-6-10-19(17)29-21/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyCHRBDVWRXBTQSE-UHFFFAOYSA-N
MW420.92 g/mol
LogP6.37
Rot. Bonds4

About N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide

N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 1348159) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID1348159
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC NameN-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2S/c1-14-11-12-16(13-18(14)26-22(27)15-7-3-2-4-8-15)25-23(28)21-20(24)17-9-5-6-10-19(17)29-21/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyCHRBDVWRXBTQSE-UHFFFAOYSA-N
XLogP6.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-[(5-chloro-2-methylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4937654
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
3-chloro-N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23875939
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-4-methyl-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987140

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CID 1348159) is N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is CHRBDVWRXBTQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c1-14-11-12-16(13-18(14)26-22(27)15-7-3-2-4-8-15)25-23(28)21-20(24)17-9-5-6-10-19(17)29-21/h2-13H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1348159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).