2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide

C17H14ClNOS — CID 4119329

IUPAC2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2ccccc12)NCc1cccc(Cl)c1
InChIInChI=1S/C17H14ClNOS/c18-14-5-3-4-12(8-14)10-19-17(20)9-13-11-21-16-7-2-1-6-15(13)16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyAUOQWAWOQOHWKX-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.41
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide

2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 4119329) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID4119329
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2ccccc12)NCc1cccc(Cl)c1
InChIInChI=1S/C17H14ClNOS/c18-14-5-3-4-12(8-14)10-19-17(20)9-13-11-21-16-7-2-1-6-15(13)16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyAUOQWAWOQOHWKX-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(3-chlorophenyl)propanamide
CID 121179489
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349
2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-[(3-chlorophenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 22514827
2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide (CID 4119329) is 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide is O=C(Cc1csc2ccccc12)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is AUOQWAWOQOHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c18-14-5-3-4-12(8-14)10-19-17(20)9-13-11-21-16-7-2-1-6-15(13)16/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide?
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 315.83 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 4119329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).