methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate

C17H23N3O5S2 — CID 71114653

IUPACmethyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(NCCN(C)C)cc1OC
InChIInChI=1S/C17H23N3O5S2/c1-20(2)9-8-18-12-5-6-13(14(11-12)24-3)19-27(22,23)15-7-10-26-16(15)17(21)25-4/h5-7,10-11,18-19H,8-9H2,1-4H3
InChIKeyDZELNOGFMVRLHW-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.32
Rot. Bonds9

About methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 71114653) has the molecular formula C17H23N3O5S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID71114653
Molecular FormulaC17H23N3O5S2
Molecular Weight413.52 g/mol
Exact Mass413.11
IUPAC Namemethyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(NCCN(C)C)cc1OC
InChIInChI=1S/C17H23N3O5S2/c1-20(2)9-8-18-12-5-6-13(14(11-12)24-3)19-27(22,23)15-7-10-26-16(15)17(21)25-4/h5-7,10-11,18-19H,8-9H2,1-4H3
InChIKeyDZELNOGFMVRLHW-UHFFFAOYSA-N
XLogP2.32
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (CID 71114653) is methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(NCCN(C)C)cc1OC.
What is the InChIKey of methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is DZELNOGFMVRLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S2/c1-20(2)9-8-18-12-5-6-13(14(11-12)24-3)19-27(22,23)15-7-10-26-16(15)17(21)25-4/h5-7,10-11,18-19H,8-9H2,1-4H3.
What are the key properties of methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 413.52 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[2-(dimethylamino)ethylamino]-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71114653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).