[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate

C20H25N3O6S — CID 2483085

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)no1
InChIInChI=1S/C20H25N3O6S/c1-14-11-18(22-29-14)21-19(24)13-28-20(25)15-7-6-10-17(12-15)30(26,27)23(2)16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,21,22,24)
InChIKeyUSDCEKIIPLSGMH-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.73
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 2483085) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID2483085
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)no1
InChIInChI=1S/C20H25N3O6S/c1-14-11-18(22-29-14)21-19(24)13-28-20(25)15-7-6-10-17(12-15)30(26,27)23(2)16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,21,22,24)
InChIKeyUSDCEKIIPLSGMH-UHFFFAOYSA-N
XLogP2.73
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 2483085) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate is Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is USDCEKIIPLSGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-14-11-18(22-29-14)21-19(24)13-28-20(25)15-7-6-10-17(12-15)30(26,27)23(2)16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,21,22,24).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 435.50 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 2483085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).