[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C19H26N2O5S — CID 2999502

IUPAC[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CC2C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H26N2O5S/c1-13-6-7-16(20-18(22)12-26-19(23)15-11-14(15)2)17(10-13)27(24,25)21-8-4-3-5-9-21/h6-7,10,14-15H,3-5,8-9,11-12H2,1-2H3,(H,20,22)
InChIKeyDTAPDGXEXMKBDL-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.31
Rot. Bonds6

About [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 2999502) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID2999502
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CC2C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H26N2O5S/c1-13-6-7-16(20-18(22)12-26-19(23)15-11-14(15)2)17(10-13)27(24,25)21-8-4-3-5-9-21/h6-7,10,14-15H,3-5,8-9,11-12H2,1-2H3,(H,20,22)
InChIKeyDTAPDGXEXMKBDL-UHFFFAOYSA-N
XLogP2.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]cyclopropanecarboxamide
CID 5298782
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
[2-(4-Methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 3000207
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
CID 5183111
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7873214
2,2,3,3-tetramethyl-N-(4-methyl-3-(morpholinosulfonyl)phenyl)cyclopropanecarboxamide
CID 25211883
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2086601
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 3555555
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 3624923

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 2999502) is [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is Cc1ccc(NC(=O)COC(=O)C2CC2C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is DTAPDGXEXMKBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-6-7-16(20-18(22)12-26-19(23)15-11-14(15)2)17(10-13)27(24,25)21-8-4-3-5-9-21/h6-7,10,14-15H,3-5,8-9,11-12H2,1-2H3,(H,20,22).
What are the key properties of [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 394.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 2999502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).