N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide

C22H17NOS — CID 3632850

IUPACN-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc2sccc2c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NOS/c24-22(23-19-11-12-20-18(15-19)13-14-25-20)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,21H,(H,23,24)
InChIKeyVRNOGDOXPYFJEX-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.67
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide

N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide (PubChem CID 3632850) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
PubChem CID3632850
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC NameN-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc2sccc2c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NOS/c24-22(23-19-11-12-20-18(15-19)13-14-25-20)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,21H,(H,23,24)
InChIKeyVRNOGDOXPYFJEX-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(1-benzothiophen-5-yl)-2-phenylacetamide
CID 61179816
2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
CID 107769632
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
N-(1-benzothiophen-5-yl)-2-naphthalen-1-ylacetamide
CID 23791200
N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55929497
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
CID 63434078
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
3-(1-benzothiophen-5-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821596

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide (CID 3632850) is N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide is O=C(Nc1ccc2sccc2c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide?
The InChIKey is VRNOGDOXPYFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c24-22(23-19-11-12-20-18(15-19)13-14-25-20)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,21H,(H,23,24).
What are the key properties of N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide?
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide has a molecular weight of 343.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 3632850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).