N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H23NO3S — CID 56765191

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H23NO3S/c18-14(17-12-15(19)7-9-20-10-8-15)16(5-1-2-6-16)13-4-3-11-21-13/h3-4,11,19H,1-2,5-10,12H2,(H,17,18)
InChIKeyGMEHXAIJDXAEBL-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 56765191) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID56765191
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H23NO3S/c18-14(17-12-15(19)7-9-20-10-8-15)16(5-1-2-6-16)13-4-3-11-21-13/h3-4,11,19H,1-2,5-10,12H2,(H,17,18)
InChIKeyGMEHXAIJDXAEBL-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 56765191) is N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC1(O)CCOCC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is GMEHXAIJDXAEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-14(17-12-15(19)7-9-20-10-8-15)16(5-1-2-6-16)13-4-3-11-21-13/h3-4,11,19H,1-2,5-10,12H2,(H,17,18).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 56765191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).