N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C19H23NO2S2 — CID 71803824

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCSc1ccc(C(O)CNC(=O)C2(c3cccs3)CCCC2)cc1
InChIInChI=1S/C19H23NO2S2/c1-23-15-8-6-14(7-9-15)16(21)13-20-18(22)19(10-2-3-11-19)17-5-4-12-24-17/h4-9,12,16,21H,2-3,10-11,13H2,1H3,(H,20,22)
InChIKeyCQZREUBHAKLIFQ-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.13
Rot. Bonds6

About N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71803824) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71803824
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCSc1ccc(C(O)CNC(=O)C2(c3cccs3)CCCC2)cc1
InChIInChI=1S/C19H23NO2S2/c1-23-15-8-6-14(7-9-15)16(21)13-20-18(22)19(10-2-3-11-19)17-5-4-12-24-17/h4-9,12,16,21H,2-3,10-11,13H2,1H3,(H,20,22)
InChIKeyCQZREUBHAKLIFQ-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71803824) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is CSc1ccc(C(O)CNC(=O)C2(c3cccs3)CCCC2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is CQZREUBHAKLIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-23-15-8-6-14(7-9-15)16(21)13-20-18(22)19(10-2-3-11-19)17-5-4-12-24-17/h4-9,12,16,21H,2-3,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71803824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).