methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate

C16H19N3O5S2 — CID 154755350

IUPACmethyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCNC(=O)N(C)c1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1
InChIInChI=1S/C16H19N3O5S2/c1-4-17-16(21)19(2)12-7-5-6-11(10-12)18-26(22,23)13-8-9-25-14(13)15(20)24-3/h5-10,18H,4H2,1-3H3,(H,17,21)
InChIKeyGIZXGKPUGSKQCZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.50
Rot. Bonds6

About methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 154755350) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID154755350
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC Namemethyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCNC(=O)N(C)c1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1
InChIInChI=1S/C16H19N3O5S2/c1-4-17-16(21)19(2)12-7-5-6-11(10-12)18-26(22,23)13-8-9-25-14(13)15(20)24-3/h5-10,18H,4H2,1-3H3,(H,17,21)
InChIKeyGIZXGKPUGSKQCZ-UHFFFAOYSA-N
XLogP2.50
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090751
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 3783614
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 115698302
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate (CID 154755350) is methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate is CCNC(=O)N(C)c1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1.
What is the InChIKey of methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is GIZXGKPUGSKQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-4-17-16(21)19(2)12-7-5-6-11(10-12)18-26(22,23)13-8-9-25-14(13)15(20)24-3/h5-10,18H,4H2,1-3H3,(H,17,21).
What are the key properties of methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 154755350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).