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

C23H21NOS — CID 18166473

IUPACN-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)C1Cc2ccccc2S1
InChIInChI=1S/C23H21NOS/c25-23(22-16-19-13-7-8-14-21(19)26-22)24-20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,20,22H,15-16H2,(H,24,25)
InChIKeyDSSRSXRPJTZRRN-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.80
Rot. Bonds5

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

N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 18166473) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID18166473
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC NameN-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)C1Cc2ccccc2S1
InChIInChI=1S/C23H21NOS/c25-23(22-16-19-13-7-8-14-21(19)26-22)24-20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,20,22H,15-16H2,(H,24,25)
InChIKeyDSSRSXRPJTZRRN-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 18166473) is N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NC(Cc1ccccc1)c1ccccc1)C1Cc2ccccc2S1.
What is the InChIKey of N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is DSSRSXRPJTZRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c25-23(22-16-19-13-7-8-14-21(19)26-22)24-20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,20,22H,15-16H2,(H,24,25).
What are the key properties of N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18166473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).