[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

C21H32N2O5S — CID 46624780

IUPAC[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C21H32N2O5S/c1-15(19(24)22-21(2,3)4)28-20(25)16-11-13-18(14-12-16)29(26,27)23(5)17-9-7-6-8-10-17/h11-15,17H,6-10H2,1-5H3,(H,22,24)
InChIKeyMZYWDKAZGSQVPW-UHFFFAOYSA-N
MW424.56 g/mol
LogP3.10
Rot. Bonds6

About [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 46624780) has the molecular formula C21H32N2O5S and a molecular weight of 424.56 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID46624780
Molecular FormulaC21H32N2O5S
Molecular Weight424.56 g/mol
Exact Mass424.20
IUPAC Name[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C21H32N2O5S/c1-15(19(24)22-21(2,3)4)28-20(25)16-11-13-18(14-12-16)29(26,27)23(5)17-9-7-6-8-10-17/h11-15,17H,6-10H2,1-5H3,(H,22,24)
InChIKeyMZYWDKAZGSQVPW-UHFFFAOYSA-N
XLogP3.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(tert-butylamino)-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
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8958378
[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
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 3563761
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944471
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 11938444
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944489

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 46624780) is [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is CC(OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is MZYWDKAZGSQVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5S/c1-15(19(24)22-21(2,3)4)28-20(25)16-11-13-18(14-12-16)29(26,27)23(5)17-9-7-6-8-10-17/h11-15,17H,6-10H2,1-5H3,(H,22,24).
What are the key properties of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 424.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 46624780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).