N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide

C10H16N2O3S2 — CID 79819376

IUPACN-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1csc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H16N2O3S2/c1-3-4-5-12-9(13)8-6-16-10(7(8)2)17(11,14)15/h6H,3-5H2,1-2H3,(H,12,13)(H2,11,14,15)
InChIKeyBLGBGGFTXKMNTP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.23
Rot. Bonds5

About N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide

N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide (PubChem CID 79819376) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
PubChem CID79819376
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1csc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H16N2O3S2/c1-3-4-5-12-9(13)8-6-16-10(7(8)2)17(11,14)15/h6H,3-5H2,1-2H3,(H,12,13)(H2,11,14,15)
InChIKeyBLGBGGFTXKMNTP-UHFFFAOYSA-N
XLogP1.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
CID 102915529
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
3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807759
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
2,4-dichloro-N-pentyl-5-sulfamoylbenzamide
CID 60635006
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide (CID 79819376) is N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide is CCCCNC(=O)c1csc(S(N)(=O)=O)c1C.
What is the InChIKey of N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is BLGBGGFTXKMNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-3-4-5-12-9(13)8-6-16-10(7(8)2)17(11,14)15/h6H,3-5H2,1-2H3,(H,12,13)(H2,11,14,15).
What are the key properties of N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide?
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 79819376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).