[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate

C18H25N3O6S — CID 3563761

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)NC(N)=O
InChIInChI=1S/C18H25N3O6S/c1-12(16(22)20-18(19)24)27-17(23)13-7-6-10-15(11-13)28(25,26)21(2)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H3,19,20,22,24)
InChIKeyYAWBRZDNJAHQPF-UHFFFAOYSA-N
MW411.48 g/mol
LogP1.38
Rot. Bonds6

About [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 3563761) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID3563761
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)NC(N)=O
InChIInChI=1S/C18H25N3O6S/c1-12(16(22)20-18(19)24)27-17(23)13-7-6-10-15(11-13)28(25,26)21(2)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H3,19,20,22,24)
InChIKeyYAWBRZDNJAHQPF-UHFFFAOYSA-N
XLogP1.38
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 40972763
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604574
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666884
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944484
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 46629857
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)benzoate
CID 16519856
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)benzoate
CID 8988493
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 2518726
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46624780
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 5029148
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 3563761) is [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate is CC(OC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is YAWBRZDNJAHQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S/c1-12(16(22)20-18(19)24)27-17(23)13-7-6-10-15(11-13)28(25,26)21(2)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H3,19,20,22,24).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 411.48 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 3563761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).