[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

C22H26N2O7S — CID 55467341

IUPAC[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCC1CCCCC1NC(=O)NC(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O7S/c1-15-7-5-6-10-18(15)23-22(27)24-19(25)13-31-21(26)20-16(11-12-30-20)14-32(28,29)17-8-3-2-4-9-17/h2-4,8-9,11-12,15,18H,5-7,10,13-14H2,1H3,(H2,23,24,25,27)
InChIKeyNGIIHJMNGXMDPG-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.81
Rot. Bonds7

About [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 55467341) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID55467341
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCC1CCCCC1NC(=O)NC(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O7S/c1-15-7-5-6-10-18(15)23-22(27)24-19(25)13-31-21(26)20-16(11-12-30-20)14-32(28,29)17-8-3-2-4-9-17/h2-4,8-9,11-12,15,18H,5-7,10,13-14H2,1H3,(H2,23,24,25,27)
InChIKeyNGIIHJMNGXMDPG-UHFFFAOYSA-N
XLogP2.81
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate with MolForge

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Related Compounds

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46664518
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7798258
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194099
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7552933
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-phenoxyacetate
CID 11920173
3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-1-carboxylate
CID 8707372
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7980769
3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120554526
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 46825669
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 11929185

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (CID 55467341) is [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is CC1CCCCC1NC(=O)NC(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is NGIIHJMNGXMDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-15-7-5-6-10-18(15)23-22(27)24-19(25)13-31-21(26)20-16(11-12-30-20)14-32(28,29)17-8-3-2-4-9-17/h2-4,8-9,11-12,15,18H,5-7,10,13-14H2,1H3,(H2,23,24,25,27).
What are the key properties of [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 462.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55467341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).