N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide

C19H19N3O2S — CID 50973532

IUPACN-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CNCc1ccc2sccc2c1
InChIInChI=1S/C19H19N3O2S/c1-13(23)21-16-4-2-3-5-17(16)22-19(24)12-20-11-14-6-7-18-15(10-14)8-9-25-18/h2-10,20H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyBQNKOZOZFXYIRR-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.59
Rot. Bonds6

About N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide

N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide (PubChem CID 50973532) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide
PubChem CID50973532
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CNCc1ccc2sccc2c1
InChIInChI=1S/C19H19N3O2S/c1-13(23)21-16-4-2-3-5-17(16)22-19(24)12-20-11-14-6-7-18-15(10-14)8-9-25-18/h2-10,20H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyBQNKOZOZFXYIRR-UHFFFAOYSA-N
XLogP3.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
CID 43816753
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 47112206
3-[1-benzothiophen-5-ylmethylcarbamoyl(methyl)amino]propanoic acid
CID 122014671
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131922995
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
methyl (2S)-2-acetamido-3-(1-benzothiophen-5-yl)propanoate
CID 139813685
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
N-(2-acetamidophenyl)propanamide
CID 885895
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 54913747

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide?
The IUPAC name of N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide (CID 50973532) is N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide is CC(=O)Nc1ccccc1NC(=O)CNCc1ccc2sccc2c1.
What is the InChIKey of N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide?
The InChIKey is BQNKOZOZFXYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(23)21-16-4-2-3-5-17(16)22-19(24)12-20-11-14-6-7-18-15(10-14)8-9-25-18/h2-10,20H,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide?
N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide is sourced from PubChem (CID 50973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).