[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate

C22H30N2O4S — CID 71189462

IUPAC[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(C2C=CSC2)CC1
InChIInChI=1S/C22H30N2O4S/c1-3-23-21(26)28-17-8-11-22(12-9-17,16-10-13-29-14-16)15-24-20(25)18-6-4-5-7-19(18)27-2/h4-7,10,13,16-17H,3,8-9,11-12,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFXWCRWYHNHSBHV-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.98
Rot. Bonds7

About [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate

[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate (PubChem CID 71189462) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate
PubChem CID71189462
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(C2C=CSC2)CC1
InChIInChI=1S/C22H30N2O4S/c1-3-23-21(26)28-17-8-11-22(12-9-17,16-10-13-29-14-16)15-24-20(25)18-6-4-5-7-19(18)27-2/h4-7,10,13,16-17H,3,8-9,11-12,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFXWCRWYHNHSBHV-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate with MolForge

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Related Compounds

N-[[1-[(3R)-2,3-dihydrothiophen-3-yl]-4-hydroxycyclohexyl]methyl]-2-methoxybenzamide
CID 71189469
[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-thiophen-3-ylcyclohexyl] N-(3-methoxypropyl)carbamate
CID 177371469
3-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]propyl propanoate
CID 20596135
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
[4-[[(2-methoxybenzoyl)amino]methyl]-4-thiophen-3-ylcyclohexyl] butanoate
CID 58842583
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[(4-benzylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 22240946
2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539711
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
CID 54173169

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate?
The IUPAC name of [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate (CID 71189462) is [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate.
What is the SMILES notation for [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate?
The canonical SMILES for [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate is CCNC(=O)OC1CCC(CNC(=O)c2ccccc2OC)(C2C=CSC2)CC1.
What is the InChIKey of [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate?
The InChIKey is FXWCRWYHNHSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-3-23-21(26)28-17-8-11-22(12-9-17,16-10-13-29-14-16)15-24-20(25)18-6-4-5-7-19(18)27-2/h4-7,10,13,16-17H,3,8-9,11-12,14-15H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate?
[4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate has a molecular weight of 418.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydrothiophen-3-yl)-4-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl] N-ethylcarbamate is sourced from PubChem (CID 71189462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).