tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate

C18H28N2O3S — CID 6736292

IUPACtert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)23-17(22)20-11-13-6-8-14(9-7-13)16(21)19-12-15-5-4-10-24-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyGVVYPRYVGMWUPY-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.70
Rot. Bonds5

About tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate (PubChem CID 6736292) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate
PubChem CID6736292
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)23-17(22)20-11-13-6-8-14(9-7-13)16(21)19-12-15-5-4-10-24-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyGVVYPRYVGMWUPY-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate 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 tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate (CID 6736292) is tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(C(=O)NCc2cccs2)CC1.
What is the InChIKey of tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate?
The InChIKey is GVVYPRYVGMWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-18(2,3)23-17(22)20-11-13-6-8-14(9-7-13)16(21)19-12-15-5-4-10-24-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate has a molecular weight of 352.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(thiophen-2-ylmethylcarbamoyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 6736292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).