N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

C15H22N2O3S — CID 97417562

IUPACN'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCO[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(C)s1
InChIInChI=1S/C15H22N2O3S/c1-10-7-8-13(21-10)12(20-2)9-16-14(18)15(19)17-11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyLBOWKDBEECRHDG-LBPRGKRZSA-N
MW310.42 g/mol
LogP1.92
Rot. Bonds5

About N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 97417562) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
PubChem CID97417562
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCO[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(C)s1
InChIInChI=1S/C15H22N2O3S/c1-10-7-8-13(21-10)12(20-2)9-16-14(18)15(19)17-11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyLBOWKDBEECRHDG-LBPRGKRZSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide 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'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (CID 97417562) is N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide is CO[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccc(C)s1.
What is the InChIKey of N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is LBOWKDBEECRHDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-7-8-13(21-10)12(20-2)9-16-14(18)15(19)17-11-5-3-4-6-11/h7-8,11-12H,3-6,9H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 310.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 97417562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).