3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide

C17H16ClFN2OS2 — CID 32631497

IUPAC3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccsc1
InChIInChI=1S/C17H16ClFN2OS2/c1-21(2)13(10-5-6-23-9-10)8-20-17(22)16-15(18)12-4-3-11(19)7-14(12)24-16/h3-7,9,13H,8H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyWSKBMISIRWJDOA-ZDUSSCGKSA-N
MW382.91 g/mol
LogP4.79
Rot. Bonds5

About 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide

3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 32631497) has the molecular formula C17H16ClFN2OS2 and a molecular weight of 382.91 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID32631497
Molecular FormulaC17H16ClFN2OS2
Molecular Weight382.91 g/mol
Exact Mass382.04
IUPAC Name3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccsc1
InChIInChI=1S/C17H16ClFN2OS2/c1-21(2)13(10-5-6-23-9-10)8-20-17(22)16-15(18)12-4-3-11(19)7-14(12)24-16/h3-7,9,13H,8H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyWSKBMISIRWJDOA-ZDUSSCGKSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 51966940
3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 35573678
3-chloro-6-fluoro-N-(4-hydroxy-2-methylbutyl)-1-benzothiophene-2-carboxamide
CID 66108609
N-(3-amino-2-hydroxy-3-oxopropyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 106164712
1-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]propan-2-yl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 4574974
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
3-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 43843611
3-chloro-N-(2-chloroprop-2-enyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115636901
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
3-chloro-N-(2,3-dihydroxy-2-methylpropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 66170210

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide (CID 32631497) is 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide is CN(C)[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccsc1.
What is the InChIKey of 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is WSKBMISIRWJDOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16ClFN2OS2/c1-21(2)13(10-5-6-23-9-10)8-20-17(22)16-15(18)12-4-3-11(19)7-14(12)24-16/h3-7,9,13H,8H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 382.91 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 32631497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).