ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate

C16H25N3O6S — CID 46284021

IUPACethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)NCC2CCCO2)cn1C
InChIInChI=1S/C16H25N3O6S/c1-4-24-16(21)14-8-13(10-18(14)2)26(22,23)19(3)11-15(20)17-9-12-6-5-7-25-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,20)
InChIKeyOLCFIMIPWNLGHV-UHFFFAOYSA-N
MW387.46 g/mol
LogP0.12
Rot. Bonds8

About ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate

ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate (PubChem CID 46284021) has the molecular formula C16H25N3O6S and a molecular weight of 387.46 g/mol. Its IUPAC name is ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
PubChem CID46284021
Molecular FormulaC16H25N3O6S
Molecular Weight387.46 g/mol
Exact Mass387.15
IUPAC Nameethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)NCC2CCCO2)cn1C
InChIInChI=1S/C16H25N3O6S/c1-4-24-16(21)14-8-13(10-18(14)2)26(22,23)19(3)11-15(20)17-9-12-6-5-7-25-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,20)
InChIKeyOLCFIMIPWNLGHV-UHFFFAOYSA-N
XLogP0.12
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-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 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
CID 6623831
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
ethyl 1-methyl-4-[methyl-[2-[3-(1,2-oxazol-5-yl)anilino]-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284051
2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 20910024
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97075379
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97075380
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 110335607
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 125061925
ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
CID 62027423
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate (CID 46284021) is ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)NCC2CCCO2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is OLCFIMIPWNLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S/c1-4-24-16(21)14-8-13(10-18(14)2)26(22,23)19(3)11-15(20)17-9-12-6-5-7-25-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,20).
What are the key properties of ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate?
ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 0.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 46284021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).