[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

C20H30N2O5S — CID 8944484

IUPAC[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C20H30N2O5S/c1-14(2)21-19(23)15(3)27-20(24)16-10-12-18(13-11-16)28(25,26)22(4)17-8-6-5-7-9-17/h10-15,17H,5-9H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyVTOVVANRKHAKJB-OAHLLOKOSA-N
MW410.54 g/mol
LogP2.71
Rot. Bonds7

About [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 8944484) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID8944484
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C20H30N2O5S/c1-14(2)21-19(23)15(3)27-20(24)16-10-12-18(13-11-16)28(25,26)22(4)17-8-6-5-7-9-17/h10-15,17H,5-9H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyVTOVVANRKHAKJB-OAHLLOKOSA-N
XLogP2.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46624780
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46611141
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 42933588
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 40972763
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 3563761
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944489
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944471
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 11938444
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
[(2S)-1-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 124828655

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 8944484) is [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is VTOVVANRKHAKJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-14(2)21-19(23)15(3)27-20(24)16-10-12-18(13-11-16)28(25,26)22(4)17-8-6-5-7-9-17/h10-15,17H,5-9H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 410.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 8944484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).