[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate

C18H24N2O5S — CID 7932538

IUPAC[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
SMILESC[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N2O5S/c1-13(25-18(22)14-8-5-4-6-9-14)17(21)19-15-10-7-11-16(12-15)26(23,24)20(2)3/h4-5,7,10-14H,6,8-9H2,1-3H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyIRZGWSXPCRDQEU-ZIAGYGMSSA-N
MW380.47 g/mol
LogP2.16
Rot. Bonds6

About [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate

[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate (PubChem CID 7932538) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
PubChem CID7932538
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
SMILESC[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N2O5S/c1-13(25-18(22)14-8-5-4-6-9-14)17(21)19-15-10-7-11-16(12-15)26(23,24)20(2)3/h4-5,7,10-14H,6,8-9H2,1-3H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyIRZGWSXPCRDQEU-ZIAGYGMSSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932060
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932062
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932078
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932203
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709554
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] butanoate
CID 7796832
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950865
[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8947902
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7790183
(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 26975857
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666557
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864249

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate (CID 7932538) is [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate is C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate?
The InChIKey is IRZGWSXPCRDQEU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-13(25-18(22)14-8-5-4-6-9-14)17(21)19-15-10-7-11-16(12-15)26(23,24)20(2)3/h4-5,7,10-14H,6,8-9H2,1-3H3,(H,19,21)/t13-,14-/m1/s1.
What are the key properties of [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate?
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7932538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).