N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C23H21NOS — CID 56522661

IUPACN-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-23(18-11-4-2-5-12-18,19-13-6-3-7-14-19)24-22(25)21-16-17-10-8-9-15-20(17)26-21/h2-15,21H,16H2,1H3,(H,24,25)
InChIKeyLOHGHCUMVNTEEL-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.78
Rot. Bonds4

About N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 56522661) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID56522661
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC NameN-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-23(18-11-4-2-5-12-18,19-13-6-3-7-14-19)24-22(25)21-16-17-10-8-9-15-20(17)26-21/h2-15,21H,16H2,1H3,(H,24,25)
InChIKeyLOHGHCUMVNTEEL-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 56522661) is N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CC(NC(=O)C1Cc2ccccc2S1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is LOHGHCUMVNTEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c1-23(18-11-4-2-5-12-18,19-13-6-3-7-14-19)24-22(25)21-16-17-10-8-9-15-20(17)26-21/h2-15,21H,16H2,1H3,(H,24,25).
What are the key properties of N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 56522661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).