[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C22H31N3O7S — CID 3906998

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C22H31N3O7S/c26-20(24-22(28)23-18-4-2-1-3-5-18)16-32-21(27)11-8-17-6-9-19(10-7-17)33(29,30)25-12-14-31-15-13-25/h6-7,9-10,18H,1-5,8,11-16H2,(H2,23,24,26,28)
InChIKeyXZDIITLKNNBWCI-UHFFFAOYSA-N
MW481.57 g/mol
LogP1.34
Rot. Bonds8

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 3906998) has the molecular formula C22H31N3O7S and a molecular weight of 481.57 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID3906998
Molecular FormulaC22H31N3O7S
Molecular Weight481.57 g/mol
Exact Mass481.19
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C22H31N3O7S/c26-20(24-22(28)23-18-4-2-1-3-5-18)16-32-21(27)11-8-17-6-9-19(10-7-17)33(29,30)25-12-14-31-15-13-25/h6-7,9-10,18H,1-5,8,11-16H2,(H2,23,24,26,28)
InChIKeyXZDIITLKNNBWCI-UHFFFAOYSA-N
XLogP1.34
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521153
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316309
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316289
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 27137679
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2100125
[2-(1-cyclopropylethylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 55398761
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555500

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 3906998) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is XZDIITLKNNBWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O7S/c26-20(24-22(28)23-18-4-2-1-3-5-18)16-32-21(27)11-8-17-6-9-19(10-7-17)33(29,30)25-12-14-31-15-13-25/h6-7,9-10,18H,1-5,8,11-16H2,(H2,23,24,26,28).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 481.57 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 3906998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).