methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate

C17H20N2O5S2 — CID 46534149

IUPACmethyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-3-18-26(22,23)13-8-6-12(7-9-13)17(21)19-14(11-16(20)24-2)15-5-4-10-25-15/h4-10,14,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyIHGMHYZRDITASD-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.08
Rot. Bonds8

About methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate

methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 46534149) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID46534149
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Namemethyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-3-18-26(22,23)13-8-6-12(7-9-13)17(21)19-14(11-16(20)24-2)15-5-4-10-25-15/h4-10,14,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyIHGMHYZRDITASD-UHFFFAOYSA-N
XLogP2.08
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate 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

4-(ethylsulfamoyl)-N-(1-thiophen-2-ylpropyl)benzamide
CID 55954354
methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 51112274
methyl 3-[[4-(ethoxycarbonylamino)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46514765
methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 46514642
methyl 3-thiophen-2-yl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]propanoate
CID 46514728
methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46603309
methyl 3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46514863
methyl 3-[(5-bromofuran-2-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46515294
methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate
CID 62852003
methyl 3-[(2-bromobenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 42937932
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate (CID 46534149) is methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate is CCNS(=O)(=O)c1ccc(C(=O)NC(CC(=O)OC)c2cccs2)cc1.
What is the InChIKey of methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is IHGMHYZRDITASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-3-18-26(22,23)13-8-6-12(7-9-13)17(21)19-14(11-16(20)24-2)15-5-4-10-25-15/h4-10,14,18H,3,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 396.49 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46534149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).