N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C17H21NO2S2 — CID 71781690

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCc1ccsc1C(O)CNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H21NO2S2/c1-12-6-10-22-15(12)13(19)11-18-16(20)17(7-2-3-8-17)14-5-4-9-21-14/h4-6,9-10,13,19H,2-3,7-8,11H2,1H3,(H,18,20)
InChIKeyPKVNFTYMMRODMY-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.78
Rot. Bonds5

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71781690) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71781690
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCc1ccsc1C(O)CNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H21NO2S2/c1-12-6-10-22-15(12)13(19)11-18-16(20)17(7-2-3-8-17)14-5-4-9-21-14/h4-6,9-10,13,19H,2-3,7-8,11H2,1H3,(H,18,20)
InChIKeyPKVNFTYMMRODMY-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.78
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-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71781690) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is Cc1ccsc1C(O)CNC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is PKVNFTYMMRODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-12-6-10-22-15(12)13(19)11-18-16(20)17(7-2-3-8-17)14-5-4-9-21-14/h4-6,9-10,13,19H,2-3,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71781690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).