N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide

C15H23N3O2S — CID 18589132

IUPACN'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-18(2)12(13-8-5-9-21-13)10-16-14(19)15(20)17-11-6-3-4-7-11/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCRHAACMHJFWCBR-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.53
Rot. Bonds5

About N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide

N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide (PubChem CID 18589132) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
PubChem CID18589132
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NC1CCCC1)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-18(2)12(13-8-5-9-21-13)10-16-14(19)15(20)17-11-6-3-4-7-11/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCRHAACMHJFWCBR-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]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-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide (CID 18589132) is N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide is CN(C)C(CNC(=O)C(=O)NC1CCCC1)c1cccs1.
What is the InChIKey of N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
The InChIKey is CRHAACMHJFWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(2)12(13-8-5-9-21-13)10-16-14(19)15(20)17-11-6-3-4-7-11/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide?
N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide has a molecular weight of 309.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 18589132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).