N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C19H23NO2S — CID 97038576

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC[C@H](O)c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NO2S/c21-16(15-7-2-1-3-8-15)10-13-20-18(22)19(11-4-5-12-19)17-9-6-14-23-17/h1-3,6-9,14,16,21H,4-5,10-13H2,(H,20,22)/t16-/m0/s1
InChIKeyWNSSSULHHIGIGG-INIZCTEOSA-N
MW329.46 g/mol
LogP3.80
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 97038576) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID97038576
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC[C@H](O)c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NO2S/c21-16(15-7-2-1-3-8-15)10-13-20-18(22)19(11-4-5-12-19)17-9-6-14-23-17/h1-3,6-9,14,16,21H,4-5,10-13H2,(H,20,22)/t16-/m0/s1
InChIKeyWNSSSULHHIGIGG-INIZCTEOSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 97038576) is N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC[C@H](O)c1ccccc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is WNSSSULHHIGIGG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-16(15-7-2-1-3-8-15)10-13-20-18(22)19(11-4-5-12-19)17-9-6-14-23-17/h1-3,6-9,14,16,21H,4-5,10-13H2,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 329.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 97038576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).