3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

C19H16Cl2N2O2S — CID 27795353

IUPAC3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c1-23(11-12-5-4-6-13(20)9-12)16(24)10-22-19(25)18-17(21)14-7-2-3-8-15(14)26-18/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyOYMYBGDPBVVMRV-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.60
Rot. Bonds5

About 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 27795353) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID27795353
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c1-23(11-12-5-4-6-13(20)9-12)16(24)10-22-19(25)18-17(21)14-7-2-3-8-15(14)26-18/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyOYMYBGDPBVVMRV-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
3-chloro-N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9303925
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 55398611
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
3-chloro-N-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 29304330
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18112585
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 8517600

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 27795353) is 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OYMYBGDPBVVMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-23(11-12-5-4-6-13(20)9-12)16(24)10-22-19(25)18-17(21)14-7-2-3-8-15(14)26-18/h2-9H,10-11H2,1H3,(H,22,25).
What are the key properties of 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 407.32 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27795353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).