N-(3,3-diphenylpropyl)thiophene-2-carboxamide

C20H19NOS — CID 673384

IUPACN-(3,3-diphenylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C20H19NOS/c22-20(19-12-7-15-23-19)21-14-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18H,13-14H2,(H,21,22)
InChIKeyOQLZGQOQNITSSW-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.70
Rot. Bonds6

About N-(3,3-diphenylpropyl)thiophene-2-carboxamide

N-(3,3-diphenylpropyl)thiophene-2-carboxamide (PubChem CID 673384) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)thiophene-2-carboxamide
PubChem CID673384
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC NameN-(3,3-diphenylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C20H19NOS/c22-20(19-12-7-15-23-19)21-14-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18H,13-14H2,(H,21,22)
InChIKeyOQLZGQOQNITSSW-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)thiophene-2-carboxamide (CID 673384) is N-(3,3-diphenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)thiophene-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of N-(3,3-diphenylpropyl)thiophene-2-carboxamide?
The InChIKey is OQLZGQOQNITSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c22-20(19-12-7-15-23-19)21-14-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,15,18H,13-14H2,(H,21,22).
What are the key properties of N-(3,3-diphenylpropyl)thiophene-2-carboxamide?
N-(3,3-diphenylpropyl)thiophene-2-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 673384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).