[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C20H26ClN3O7S — CID 16521153

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H26ClN3O7S/c21-17-7-6-15(32(28,29)24-8-10-30-11-9-24)12-16(17)19(26)31-13-18(25)23-20(27)22-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2,(H2,22,23,25,27)
InChIKeyNEUCXZJKORSFKB-UHFFFAOYSA-N
MW487.96 g/mol
LogP1.68
Rot. Bonds6

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 16521153) has the molecular formula C20H26ClN3O7S and a molecular weight of 487.96 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID16521153
Molecular FormulaC20H26ClN3O7S
Molecular Weight487.96 g/mol
Exact Mass487.12
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H26ClN3O7S/c21-17-7-6-15(32(28,29)24-8-10-30-11-9-24)12-16(17)19(26)31-13-18(25)23-20(27)22-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2,(H2,22,23,25,27)
InChIKeyNEUCXZJKORSFKB-UHFFFAOYSA-N
XLogP1.68
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.96
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521793
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3906998
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 41166690
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599121
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 3601244
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528817
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533443
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 41144202
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 16521153) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is NEUCXZJKORSFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O7S/c21-17-7-6-15(32(28,29)24-8-10-30-11-9-24)12-16(17)19(26)31-13-18(25)23-20(27)22-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2,(H2,22,23,25,27).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 487.96 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16521153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).