3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide

C20H21ClN2OS — CID 35573678

IUPAC3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3)N(C)C)sc2c1
InChIInChI=1S/C20H21ClN2OS/c1-13-9-10-15-17(11-13)25-19(18(15)21)20(24)22-12-16(23(2)3)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyOTSWLDOTQNERAH-INIZCTEOSA-N
MW372.92 g/mol
LogP4.90
Rot. Bonds5

About 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide

3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 35573678) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID35573678
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3)N(C)C)sc2c1
InChIInChI=1S/C20H21ClN2OS/c1-13-9-10-15-17(11-13)25-19(18(15)21)20(24)22-12-16(23(2)3)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyOTSWLDOTQNERAH-INIZCTEOSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 43843611
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-thiophen-3-ylethyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 32631497
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 4884538
3-chloro-6-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 34954611
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3-chloro-6-methyl-N-(pyridin-1-ium-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 4278880
3-chloro-6-methyl-N-octyl-1-benzothiophene-2-carboxamide
CID 4081322
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413
3-chloro-6-methyl-N-(4-phenyldiazenylphenyl)-1-benzothiophene-2-carboxamide
CID 3465237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide (CID 35573678) is 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3)N(C)C)sc2c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is OTSWLDOTQNERAH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c1-13-9-10-15-17(11-13)25-19(18(15)21)20(24)22-12-16(23(2)3)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 372.92 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35573678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).