4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide

C14H24N2O3S2 — CID 102915529

IUPAC4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC(C(C)C)C(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C14H24N2O3S2/c1-8(2)11(9(3)4)6-16-13(17)12-7-20-14(10(12)5)21(15,18)19/h7-9,11H,6H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyFCCFYXKKYCURCE-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.36
Rot. Bonds6

About 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide

4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 102915529) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID102915529
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC(C(C)C)C(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C14H24N2O3S2/c1-8(2)11(9(3)4)6-16-13(17)12-7-20-14(10(12)5)21(15,18)19/h7-9,11H,6H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyFCCFYXKKYCURCE-UHFFFAOYSA-N
XLogP2.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
CID 79818480
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
CID 79818559
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 81041961
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818645
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide (CID 102915529) is 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide is Cc1c(C(=O)NCC(C(C)C)C(C)C)csc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is FCCFYXKKYCURCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-8(2)11(9(3)4)6-16-13(17)12-7-20-14(10(12)5)21(15,18)19/h7-9,11H,6H2,1-5H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide?
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 102915529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).