3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide

C20H14ClNOS — CID 1117397

IUPAC3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C20H14ClNOS/c1-12-10-11-13-6-2-3-7-14(13)18(12)22-20(23)19-17(21)15-8-4-5-9-16(15)24-19/h2-11H,1H3,(H,22,23)
InChIKeyOMDVCJYXPYQLQK-UHFFFAOYSA-N
MW351.86 g/mol
LogP6.27
Rot. Bonds2

About 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide (PubChem CID 1117397) has the molecular formula C20H14ClNOS and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
PubChem CID1117397
Molecular FormulaC20H14ClNOS
Molecular Weight351.86 g/mol
Exact Mass351.05
IUPAC Name3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C20H14ClNOS/c1-12-10-11-13-6-2-3-7-14(13)18(12)22-20(23)19-17(21)15-8-4-5-9-16(15)24-19/h2-11H,1H3,(H,22,23)
InChIKeyOMDVCJYXPYQLQK-UHFFFAOYSA-N
XLogP6.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-4-methyl-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987140
3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
CID 1012016
3-chloro-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 5079881
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1348159
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 2212200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide (CID 1117397) is 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide is Cc1ccc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is OMDVCJYXPYQLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNOS/c1-12-10-11-13-6-2-3-7-14(13)18(12)22-20(23)19-17(21)15-8-4-5-9-16(15)24-19/h2-11H,1H3,(H,22,23).
What are the key properties of 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 6.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1117397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).