N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide

C12H20N2O3S2 — CID 79818559

IUPACN-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCCN(CC(C)C)C(=O)c1csc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H20N2O3S2/c1-5-14(6-8(2)3)11(15)10-7-18-12(9(10)4)19(13,16)17/h7-8H,5-6H2,1-4H3,(H2,13,16,17)
InChIKeyYVEKUDFVYQNBAH-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide

N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 79818559) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID79818559
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCCN(CC(C)C)C(=O)c1csc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H20N2O3S2/c1-5-14(6-8(2)3)11(15)10-7-18-12(9(10)4)19(13,16)17/h7-8H,5-6H2,1-4H3,(H2,13,16,17)
InChIKeyYVEKUDFVYQNBAH-UHFFFAOYSA-N
XLogP1.82
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,3-dimethyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65387190
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818645
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
CID 102915529
4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388148
N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388918
N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79818975
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
5-amino-N-ethyl-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61040071
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide (CID 79818559) is N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide is CCN(CC(C)C)C(=O)c1csc(S(N)(=O)=O)c1C.
What is the InChIKey of N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is YVEKUDFVYQNBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-5-14(6-8(2)3)11(15)10-7-18-12(9(10)4)19(13,16)17/h7-8H,5-6H2,1-4H3,(H2,13,16,17).
What are the key properties of N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide?
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 79818559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).