N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide

C21H28N2O2S2 — CID 3242787

IUPACN-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1
InChIInChI=1S/C21H28N2O2S2/c1-3-21(2,20(25)22-16-8-4-5-9-16)23(15-18-11-7-13-27-18)19(24)14-17-10-6-12-26-17/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,22,25)
InChIKeyPCMWZQUVHYXVHK-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.61
Rot. Bonds8

About N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide

N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide (PubChem CID 3242787) has the molecular formula C21H28N2O2S2 and a molecular weight of 404.60 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide
PubChem CID3242787
Molecular FormulaC21H28N2O2S2
Molecular Weight404.60 g/mol
Exact Mass404.16
IUPAC NameN-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1
InChIInChI=1S/C21H28N2O2S2/c1-3-21(2,20(25)22-16-8-4-5-9-16)23(15-18-11-7-13-27-18)19(24)14-17-10-6-12-26-17/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,22,25)
InChIKeyPCMWZQUVHYXVHK-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide 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-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
The IUPAC name of N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide (CID 3242787) is N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide is CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
The InChIKey is PCMWZQUVHYXVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S2/c1-3-21(2,20(25)22-16-8-4-5-9-16)23(15-18-11-7-13-27-18)19(24)14-17-10-6-12-26-17/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,22,25).
What are the key properties of N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide has a molecular weight of 404.60 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 3242787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).