[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

C21H27N3O6S — CID 42933588

IUPAC[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCc1cc(NC(=O)C(C)OC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)on1
InChIInChI=1S/C21H27N3O6S/c1-14-13-19(30-23-14)22-20(25)15(2)29-21(26)16-9-11-18(12-10-16)31(27,28)24(3)17-7-5-4-6-8-17/h9-13,15,17H,4-8H2,1-3H3,(H,22,25)
InChIKeyBHKVPAWHWDLVRD-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.12
Rot. Bonds7

About [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 42933588) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID42933588
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCc1cc(NC(=O)C(C)OC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)on1
InChIInChI=1S/C21H27N3O6S/c1-14-13-19(30-23-14)22-20(25)15(2)29-21(26)16-9-11-18(12-10-16)31(27,28)24(3)17-7-5-4-6-8-17/h9-13,15,17H,4-8H2,1-3H3,(H,22,25)
InChIKeyBHKVPAWHWDLVRD-UHFFFAOYSA-N
XLogP3.12
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944484
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46611141
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46624780
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911337
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 40972763
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 3563761
2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358
[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 99852184
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944471
[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate
CID 95315012
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 42933588) is [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is Cc1cc(NC(=O)C(C)OC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)on1.
What is the InChIKey of [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is BHKVPAWHWDLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-14-13-19(30-23-14)22-20(25)15(2)29-21(26)16-9-11-18(12-10-16)31(27,28)24(3)17-7-5-4-6-8-17/h9-13,15,17H,4-8H2,1-3H3,(H,22,25).
What are the key properties of [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 449.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 42933588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).