4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide

C12H20N2O3S2 — CID 79818480

IUPAC4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
SMILESCCC(C)C(C)NC(=O)c1csc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H20N2O3S2/c1-5-7(2)9(4)14-11(15)10-6-18-12(8(10)3)19(13,16)17/h6-7,9H,5H2,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyPEQMNEOAOGVCOK-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.87
Rot. Bonds5

About 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide

4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 79818480) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID79818480
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
SMILESCCC(C)C(C)NC(=O)c1csc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H20N2O3S2/c1-5-7(2)9(4)14-11(15)10-6-18-12(8(10)3)19(13,16)17/h6-7,9H,5H2,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyPEQMNEOAOGVCOK-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
CID 102915529
2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818645
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
CID 79818559
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 79819054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide (CID 79818480) is 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide is CCC(C)C(C)NC(=O)c1csc(S(N)(=O)=O)c1C.
What is the InChIKey of 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is PEQMNEOAOGVCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-5-7(2)9(4)14-11(15)10-6-18-12(8(10)3)19(13,16)17/h6-7,9H,5H2,1-4H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide?
4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 79818480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).