3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

C16H12ClNOS — CID 1222512

IUPAC3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1
InChIInChI=1S/C16H12ClNOS/c1-18(11-7-3-2-4-8-11)16(19)15-14(17)12-9-5-6-10-13(12)20-15/h2-10H,1H3
InChIKeyXZZCYBDXOJMGDH-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.83
Rot. Bonds2

About 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 1222512) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID1222512
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1
InChIInChI=1S/C16H12ClNOS/c1-18(11-7-3-2-4-8-11)16(19)15-14(17)12-9-5-6-10-13(12)20-15/h2-10H,1H3
InChIKeyXZZCYBDXOJMGDH-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-benzothiophene-2-carboxylic acid;hydrochloride
CID 69253598
1-(3-chloro-1-benzothiophen-2-yl)ethanone;ethane
CID 142134856
N-[3-[acetyl(methyl)amino]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 46761801
3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 31138609
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-(4-methylphenyl)-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 141054213
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 44922652
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-ethyl-N-(2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 4282072
3-chloro-N-(4-chloro-3-methylphenyl)-N-(4-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 141010445
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446
N-(4-hydroxyphenyl)-N-methyl-3-propyl-1-benzothiophene-2-carboxamide
CID 110498549

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide (CID 1222512) is 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide is CN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1.
What is the InChIKey of 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is XZZCYBDXOJMGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-18(11-7-3-2-4-8-11)16(19)15-14(17)12-9-5-6-10-13(12)20-15/h2-10H,1H3.
What are the key properties of 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide?
3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 301.80 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1222512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).