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

C12H20N2O3S2 — CID 104830396

IUPACN-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NC(C)C(C)(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O3S2/c1-7-9(6-18-11(7)19(13,16)17)10(15)14-8(2)12(3,4)5/h6,8H,1-5H3,(H,14,15)(H2,13,16,17)
InChIKeyDHNRCTKSSURHSF-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.87
Rot. Bonds3

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

N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide (PubChem CID 104830396) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
PubChem CID104830396
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NC(C)C(C)(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O3S2/c1-7-9(6-18-11(7)19(13,16)17)10(15)14-8(2)12(3,4)5/h6,8H,1-5H3,(H,14,15)(H2,13,16,17)
InChIKeyDHNRCTKSSURHSF-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

N-(3,3-dimethylbutan-2-yl)-4,5-dimethylthiophene-3-carboxamide
CID 17217413
4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
CID 79818480
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
CID 102915529
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 104830398
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 104830380
N-[(2S)-3,3-dimethylbutan-2-yl]-1-benzothiophene-3-carboxamide
CID 1246729
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 79819054
2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818645

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide (CID 104830396) is N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide is Cc1c(C(=O)NC(C)C(C)(C)C)csc1S(N)(=O)=O.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is DHNRCTKSSURHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-7-9(6-18-11(7)19(13,16)17)10(15)14-8(2)12(3,4)5/h6,8H,1-5H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 104830396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).