cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

C18H26N2O5S — CID 8020660

IUPACcis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@H]2C[C@H]2C)ccc1C
InChIInChI=1S/C18H26N2O5S/c1-5-20(6-2)26(23,24)16-10-14(8-7-12(16)3)19-17(21)11-25-18(22)15-9-13(15)4/h7-8,10,13,15H,5-6,9,11H2,1-4H3,(H,19,21)/t13-,15+/m1/s1
InChIKeyPOLQOXCNDYWASB-HIFRSBDPSA-N
MW382.48 g/mol
LogP2.16
Rot. Bonds8

About cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 8020660) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
PubChem CID8020660
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Namecis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@H]2C[C@H]2C)ccc1C
InChIInChI=1S/C18H26N2O5S/c1-5-20(6-2)26(23,24)16-10-14(8-7-12(16)3)19-17(21)11-25-18(22)15-9-13(15)4/h7-8,10,13,15H,5-6,9,11H2,1-4H3,(H,19,21)/t13-,15+/m1/s1
InChIKeyPOLQOXCNDYWASB-HIFRSBDPSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate with MolForge

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Related Compounds

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 16570848
cis-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230598
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718
trans-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020632
cis-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7778150
cis-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778148
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 42966145
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 3588142
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 6218374
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate
CID 16544343
trans-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230478
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546286

Frequently Asked Questions

What is the IUPAC name of cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (CID 8020660) is cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@H]2C[C@H]2C)ccc1C.
What is the InChIKey of cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The InChIKey is POLQOXCNDYWASB-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-5-20(6-2)26(23,24)16-10-14(8-7-12(16)3)19-17(21)11-25-18(22)15-9-13(15)4/h7-8,10,13,15H,5-6,9,11H2,1-4H3,(H,19,21)/t13-,15+/m1/s1.
What are the key properties of cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 382.48 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 8020660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).