methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate

C22H22N2O6S2 — CID 177379015

IUPACmethyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
SMILESCCOc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C22H22N2O6S2/c1-4-30-18-10-6-9-17(14-18)24(2)32(27,28)19-11-12-31-20(19)21(25)23-16-8-5-7-15(13-16)22(26)29-3/h5-14H,4H2,1-3H3,(H,23,25)
InChIKeyMVPYVVLITIRROP-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.01
Rot. Bonds8

About methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate

methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate (PubChem CID 177379015) has the molecular formula C22H22N2O6S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
PubChem CID177379015
Molecular FormulaC22H22N2O6S2
Molecular Weight474.56 g/mol
Exact Mass474.09
IUPAC Namemethyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
SMILESCCOc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C22H22N2O6S2/c1-4-30-18-10-6-9-17(14-18)24(2)32(27,28)19-11-12-31-20(19)21(25)23-16-8-5-7-15(13-16)22(26)29-3/h5-14H,4H2,1-3H3,(H,23,25)
InChIKeyMVPYVVLITIRROP-UHFFFAOYSA-N
XLogP4.01
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 171727981
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 171727968
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
methyl 3-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30272698
N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 50928100
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-ethylthiophene-2-carboxamide
CID 53061891
ethyl 3-[[3-[benzenesulfonyl(methyl)amino]thiophene-2-carbonyl]amino]benzoate
CID 46391728
5-chloro-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-oxopropanoyl)phenyl]thiophene-2-carboxamide
CID 165130238
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate (CID 177379015) is methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate is CCOc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
The InChIKey is MVPYVVLITIRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S2/c1-4-30-18-10-6-9-17(14-18)24(2)32(27,28)19-11-12-31-20(19)21(25)23-16-8-5-7-15(13-16)22(26)29-3/h5-14H,4H2,1-3H3,(H,23,25).
What are the key properties of methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate?
methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate has a molecular weight of 474.56 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[(3-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 177379015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).