2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide

C25H30N2O5S — CID 24562064

IUPAC2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H30N2O5S/c28-24(27(20-11-5-2-6-12-20)21-15-16-33(30,31)18-21)17-32-23-14-8-7-13-22(23)25(29)26-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20-21H,2,5-6,11-12,15-18H2,(H,26,29)
InChIKeyJAJWQEQEPQEITK-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide

2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24562064) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24562064
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C25H30N2O5S/c28-24(27(20-11-5-2-6-12-20)21-15-16-33(30,31)18-21)17-32-23-14-8-7-13-22(23)25(29)26-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20-21H,2,5-6,11-12,15-18H2,(H,26,29)
InChIKeyJAJWQEQEPQEITK-UHFFFAOYSA-N
XLogP3.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 51610872
[2-[cyclohexyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-methoxybenzoate
CID 7485759
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7890733
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 26006663
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873265
N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55390501
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-benzylbenzoate
CID 41306041
5-chloro-2-[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethoxy]-N-phenylbenzamide
CID 24578752
N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 55390074
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926546
2-(2-cyanophenoxy)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60602307

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide (CID 24562064) is 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is JAJWQEQEPQEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c28-24(27(20-11-5-2-6-12-20)21-15-16-33(30,31)18-21)17-32-23-14-8-7-13-22(23)25(29)26-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20-21H,2,5-6,11-12,15-18H2,(H,26,29).
What are the key properties of 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide?
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 470.59 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24562064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).