[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate

C19H24N2O5S2 — CID 3945718

IUPAC[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2sccc2C)ccc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-21(6-2)28(24,25)16-11-15(8-7-13(16)3)20-17(22)12-26-19(23)18-14(4)9-10-27-18/h7-11H,5-6,12H2,1-4H3,(H,20,22)
InChIKeyPVIQUESNIWCRLY-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.19
Rot. Bonds8

About [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 3945718) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID3945718
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2sccc2C)ccc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-21(6-2)28(24,25)16-11-15(8-7-13(16)3)20-17(22)12-26-19(23)18-14(4)9-10-27-18/h7-11H,5-6,12H2,1-4H3,(H,20,22)
InChIKeyPVIQUESNIWCRLY-UHFFFAOYSA-N
XLogP3.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 16570848
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 3588142
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2715202
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 5075578
cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020660
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2430405
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 42966145
[2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7835033
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546286
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 16542330
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 4845160

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 3945718) is [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate is CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2sccc2C)ccc1C.
What is the InChIKey of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is PVIQUESNIWCRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-5-21(6-2)28(24,25)16-11-15(8-7-13(16)3)20-17(22)12-26-19(23)18-14(4)9-10-27-18/h7-11H,5-6,12H2,1-4H3,(H,20,22).
What are the key properties of [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 3945718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).