N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide

C22H30N4O4S — CID 3904286

IUPACN-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
SMILESO=C1NC(=O)C(CC(=O)N(Cc2cccs2)C2(C(=O)NC3CCCC3)CCCCC2)N1
InChIInChI=1S/C22H30N4O4S/c27-18(13-17-19(28)25-21(30)24-17)26(14-16-9-6-12-31-16)22(10-4-1-5-11-22)20(29)23-15-7-2-3-8-15/h6,9,12,15,17H,1-5,7-8,10-11,13-14H2,(H,23,29)(H2,24,25,28,30)
InChIKeyRZKSNHSXDBBFCM-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.44
Rot. Bonds7

About N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide

N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide (PubChem CID 3904286) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
PubChem CID3904286
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC NameN-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
SMILESO=C1NC(=O)C(CC(=O)N(Cc2cccs2)C2(C(=O)NC3CCCC3)CCCCC2)N1
InChIInChI=1S/C22H30N4O4S/c27-18(13-17-19(28)25-21(30)24-17)26(14-16-9-6-12-31-16)22(10-4-1-5-11-22)20(29)23-15-7-2-3-8-15/h6,9,12,15,17H,1-5,7-8,10-11,13-14H2,(H,23,29)(H2,24,25,28,30)
InChIKeyRZKSNHSXDBBFCM-UHFFFAOYSA-N
XLogP2.44
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-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-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide (CID 3904286) is N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide is O=C1NC(=O)C(CC(=O)N(Cc2cccs2)C2(C(=O)NC3CCCC3)CCCCC2)N1.
What is the InChIKey of N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The InChIKey is RZKSNHSXDBBFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c27-18(13-17-19(28)25-21(30)24-17)26(14-16-9-6-12-31-16)22(10-4-1-5-11-22)20(29)23-15-7-2-3-8-15/h6,9,12,15,17H,1-5,7-8,10-11,13-14H2,(H,23,29)(H2,24,25,28,30).
What are the key properties of N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3904286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).