[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate

C24H32N2O5S — CID 177371469

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate
SMILESCOCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccsc2)CC1
InChIInChI=1S/C24H32N2O5S/c1-29-14-5-13-25-23(28)31-19-8-11-24(12-9-19,18-10-15-32-16-18)17-26-22(27)20-6-3-4-7-21(20)30-2/h3-4,6-7,10,15-16,19H,5,8-9,11-14,17H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVLETWQYGJROPOC-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.13
Rot. Bonds10

About [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate

[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate (PubChem CID 177371469) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate
PubChem CID177371469
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate
SMILESCOCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccsc2)CC1
InChIInChI=1S/C24H32N2O5S/c1-29-14-5-13-25-23(28)31-19-8-11-24(12-9-19,18-10-15-32-16-18)17-26-22(27)20-6-3-4-7-21(20)30-2/h3-4,6-7,10,15-16,19H,5,8-9,11-14,17H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyVLETWQYGJROPOC-UHFFFAOYSA-N
XLogP4.13
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate
CID 58842583
3-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]propyl propanoate
CID 20596135
propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
CID 54069418
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
bis(N-[(4-hydroxy-1-thiophen-2-ylcyclohexyl)methyl]-2-methoxybenzamide);2-methoxy-N-[(4-oxo-1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 158858719
[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate
CID 71189462
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
CID 54173169

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate (CID 177371469) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate is COCCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccsc2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate?
The InChIKey is VLETWQYGJROPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-29-14-5-13-25-23(28)31-19-8-11-24(12-9-19,18-10-15-32-16-18)17-26-22(27)20-6-3-4-7-21(20)30-2/h3-4,6-7,10,15-16,19H,5,8-9,11-14,17H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate has a molecular weight of 460.60 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate is sourced from PubChem (CID 177371469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).