ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate

C15H20N4O5S — CID 110413355

IUPACethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O5S/c1-2-24-15(21)19-7-5-10(6-8-19)18-25(22,23)11-3-4-12-13(9-11)17-14(20)16-12/h3-4,9-10,18H,2,5-8H2,1H3,(H2,16,17,20)
InChIKeyDXUZRAVBUREAJK-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.76
Rot. Bonds4

About ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 110413355) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID110413355
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Nameethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O5S/c1-2-24-15(21)19-7-5-10(6-8-19)18-25(22,23)11-3-4-12-13(9-11)17-14(20)16-12/h3-4,9-10,18H,2,5-8H2,1H3,(H2,16,17,20)
InChIKeyDXUZRAVBUREAJK-UHFFFAOYSA-N
XLogP0.76
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-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

ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 84556985
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 22694953
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate (CID 110413355) is ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is DXUZRAVBUREAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-2-24-15(21)19-7-5-10(6-8-19)18-25(22,23)11-3-4-12-13(9-11)17-14(20)16-12/h3-4,9-10,18H,2,5-8H2,1H3,(H2,16,17,20).
What are the key properties of ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 368.42 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 110413355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).