ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate

C20H22N2O7S2 — CID 2605744

IUPACethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C20H22N2O7S2/c1-3-28-20(25)17-15(12-7-8-12)11-30-18(17)22-16(23)10-29-19(24)13-5-4-6-14(9-13)31(26,27)21-2/h4-6,9,11-12,21H,3,7-8,10H2,1-2H3,(H,22,23)
InChIKeyOJLAWCGDJZJCKC-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.51
Rot. Bonds9

About ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 2605744) has the molecular formula C20H22N2O7S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID2605744
Molecular FormulaC20H22N2O7S2
Molecular Weight466.54 g/mol
Exact Mass466.09
IUPAC Nameethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C20H22N2O7S2/c1-3-28-20(25)17-15(12-7-8-12)11-30-18(17)22-16(23)10-29-19(24)13-5-4-6-14(9-13)31(26,27)21-2/h4-6,9,11-12,21H,3,7-8,10H2,1-2H3,(H,22,23)
InChIKeyOJLAWCGDJZJCKC-UHFFFAOYSA-N
XLogP2.51
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-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-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2627168
[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554193
ethyl 4-cyclopropyl-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8019991
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 55556647
ethyl 2-[[2-[3-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate
CID 23825496
ethyl 4-cyclopropyl-2-[[2-(1,1-dioxothiolane-3-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 55425930
ethyl 2-(5-bromopentanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 103601671
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
[2-(2-bromoanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607745
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607717

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 2605744) is ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is OJLAWCGDJZJCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S2/c1-3-28-20(25)17-15(12-7-8-12)11-30-18(17)22-16(23)10-29-19(24)13-5-4-6-14(9-13)31(26,27)21-2/h4-6,9,11-12,21H,3,7-8,10H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-[3-(methylsulfamoyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2605744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).