N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide

C22H21NOS — CID 42435357

IUPACN,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N(c1ccccc1)c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H21NOS/c24-21(22(15-7-8-16-22)20-14-9-17-25-20)23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,9-14,17H,7-8,15-16H2
InChIKeyJSKXEMHIWHEVQY-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.92
Rot. Bonds4

About N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide

N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435357) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435357
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC NameN,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N(c1ccccc1)c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H21NOS/c24-21(22(15-7-8-16-22)20-14-9-17-25-20)23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,9-14,17H,7-8,15-16H2
InChIKeyJSKXEMHIWHEVQY-UHFFFAOYSA-N
XLogP5.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435357) is N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(N(c1ccccc1)c1ccccc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is JSKXEMHIWHEVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c24-21(22(15-7-8-16-22)20-14-9-17-25-20)23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,9-14,17H,7-8,15-16H2.
What are the key properties of N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).