methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C15H20N2O5S2 — CID 20938620

IUPACmethyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOCCCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H20N2O5S2/c1-21-7-4-6-17(11-12-5-3-8-23-12)24(19,20)13-9-14(16-10-13)15(18)22-2/h3,5,8-10,16H,4,6-7,11H2,1-2H3
InChIKeyMTROQXIMLCHWPG-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.09
Rot. Bonds9

About methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938620) has the molecular formula C15H20N2O5S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938620
Molecular FormulaC15H20N2O5S2
Molecular Weight372.47 g/mol
Exact Mass372.08
IUPAC Namemethyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOCCCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H20N2O5S2/c1-21-7-4-6-17(11-12-5-3-8-23-12)24(19,20)13-9-14(16-10-13)15(18)22-2/h3,5,8-10,16H,4,6-7,11H2,1-2H3
InChIKeyMTROQXIMLCHWPG-UHFFFAOYSA-N
XLogP2.09
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-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

methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-{[(thiophen-2-YL)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552063
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
methyl 4-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938615
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 6625857
methyl 4-[(2-methylpiperidino)sulfonyl]-1H-pyrrole-2-carboxylate
CID 22551938
methyl 4-(3-methylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate
CID 22551940
methyl 4-(chlorosulfonyl)-1H-pyrrole-2-carboxylate
CID 54595773
methyl 4-(benzylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625902
Methyl 4-{[2-(3-methylthiophen-2-YL)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552126
methyl 4-[(4-ethylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
CID 24791878

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938620) is methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COCCCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is MTROQXIMLCHWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S2/c1-21-7-4-6-17(11-12-5-3-8-23-12)24(19,20)13-9-14(16-10-13)15(18)22-2/h3,5,8-10,16H,4,6-7,11H2,1-2H3.
What are the key properties of methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-methoxypropyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).