5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide

C16H20N2O3S2 — CID 55656221

IUPAC5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1C
InChIInChI=1S/C16H20N2O3S2/c1-4-14-11(2)8-15(22-14)16(19)18-10-12-6-5-7-13(9-12)23(20,21)17-3/h5-9,17H,4,10H2,1-3H3,(H,18,19)
InChIKeyDUSKVQQOAYNAHG-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.46
Rot. Bonds6

About 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide

5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55656221) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID55656221
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1C
InChIInChI=1S/C16H20N2O3S2/c1-4-14-11(2)8-15(22-14)16(19)18-10-12-6-5-7-13(9-12)23(20,21)17-3/h5-9,17H,4,10H2,1-3H3,(H,18,19)
InChIKeyDUSKVQQOAYNAHG-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 4793839
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
N-[3-(tert-butylsulfamoyl)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9371915
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381
N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 51327731
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
N-[[3-(chloromethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113272815
6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55656473
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 55656221) is 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide is CCc1sc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is DUSKVQQOAYNAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-4-14-11(2)8-15(22-14)16(19)18-10-12-6-5-7-13(9-12)23(20,21)17-3/h5-9,17H,4,10H2,1-3H3,(H,18,19).
What are the key properties of 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55656221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).