[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate

C16H22N2O5S — CID 55320965

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O5S/c1-11-7-8-13(24(17,21)22)9-14(11)16(20)23-10-15(19)18-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyPPTGASODYKZAIQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.25
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate

[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate (PubChem CID 55320965) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
PubChem CID55320965
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O5S/c1-11-7-8-13(24(17,21)22)9-14(11)16(20)23-10-15(19)18-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyPPTGASODYKZAIQ-UHFFFAOYSA-N
XLogP1.25
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate 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-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320891
[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902029
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methyl-5-sulfamoylbenzoate
CID 46792872
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518395
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 55311991
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033083
[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536846
[2-(cyclohexylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536941
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 11917615
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994086

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate (CID 55320965) is [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate is Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
The InChIKey is PPTGASODYKZAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11-7-8-13(24(17,21)22)9-14(11)16(20)23-10-15(19)18-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate has a molecular weight of 354.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate is sourced from PubChem (CID 55320965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).