N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C19H23NOS — CID 42435390

IUPACN-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NOS/c21-18(20-14-6-10-16-8-2-1-3-9-16)19(12-4-5-13-19)17-11-7-15-22-17/h1-3,7-9,11,15H,4-6,10,12-14H2,(H,20,21)
InChIKeyMGYCRNDEIJAHAR-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.31
Rot. Bonds6

About N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435390) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435390
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NOS/c21-18(20-14-6-10-16-8-2-1-3-9-16)19(12-4-5-13-19)17-11-7-15-22-17/h1-3,7-9,11,15H,4-6,10,12-14H2,(H,20,21)
InChIKeyMGYCRNDEIJAHAR-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435390) is N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCCCc1ccccc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is MGYCRNDEIJAHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c21-18(20-14-6-10-16-8-2-1-3-9-16)19(12-4-5-13-19)17-11-7-15-22-17/h1-3,7-9,11,15H,4-6,10,12-14H2,(H,20,21).
What are the key properties of N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).