N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H16ClNOS — CID 42931047

IUPACN-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)Nc1ccc(Cl)cc1C)C2
InChIInChI=1S/C17H16ClNOS/c1-10-3-4-12-9-16(21-15(12)7-10)17(20)19-14-6-5-13(18)8-11(14)2/h3-8,16H,9H2,1-2H3,(H,19,20)
InChIKeyXHMVWWCQDAMYEY-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.61
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42931047) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42931047
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC NameN-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)Nc1ccc(Cl)cc1C)C2
InChIInChI=1S/C17H16ClNOS/c1-10-3-4-12-9-16(21-15(12)7-10)17(20)19-14-6-5-13(18)8-11(14)2/h3-8,16H,9H2,1-2H3,(H,19,20)
InChIKeyXHMVWWCQDAMYEY-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42887934
N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931033
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592552
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804658
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723306
2,2-dimethyl-1-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)propan-1-one
CID 59630751
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
N-(2,4-dimethylphenyl)thiolane-2-carboxamide
CID 110857194

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42931047) is N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc2c(c1)SC(C(=O)Nc1ccc(Cl)cc1C)C2.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is XHMVWWCQDAMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-10-3-4-12-9-16(21-15(12)7-10)17(20)19-14-6-5-13(18)8-11(14)2/h3-8,16H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 317.84 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42931047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).