[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate

C23H29NO4S — CID 58842583

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccsc2)CC1
InChIInChI=1S/C23H29NO4S/c1-3-6-21(25)28-18-9-12-23(13-10-18,17-11-14-29-15-17)16-24-22(26)19-7-4-5-8-20(19)27-2/h4-5,7-8,11,14-15,18H,3,6,9-10,12-13,16H2,1-2H3,(H,24,26)
InChIKeyOVFANUXFRDXFBD-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.71
Rot. Bonds8

About [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate

[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate (PubChem CID 58842583) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate
PubChem CID58842583
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccsc2)CC1
InChIInChI=1S/C23H29NO4S/c1-3-6-21(25)28-18-9-12-23(13-10-18,17-11-14-29-15-17)16-24-22(26)19-7-4-5-8-20(19)27-2/h4-5,7-8,11,14-15,18H,3,6,9-10,12-13,16H2,1-2H3,(H,24,26)
InChIKeyOVFANUXFRDXFBD-UHFFFAOYSA-N
XLogP4.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate
CID 177371469
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
3-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]propyl propanoate
CID 20596135
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182
[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-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
bis(N-[(4-hydroxy-1-thiophen-2-ylcyclohexyl)methyl]-2-methoxybenzamide);2-methoxy-N-[(4-oxo-1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 158858719
N-[[4-(4-ethyl-2,5-dioxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842307
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
CID 54173169
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate (CID 58842583) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate is CCCC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(c2ccsc2)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate?
The InChIKey is OVFANUXFRDXFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-3-6-21(25)28-18-9-12-23(13-10-18,17-11-14-29-15-17)16-24-22(26)19-7-4-5-8-20(19)27-2/h4-5,7-8,11,14-15,18H,3,6,9-10,12-13,16H2,1-2H3,(H,24,26).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate has a molecular weight of 415.56 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate is sourced from PubChem (CID 58842583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).