4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide

C12H18N2O4S2 — CID 79819213

IUPAC4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC2CCCCO2)csc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S2/c1-8-10(7-19-12(8)20(13,16)17)11(15)14-6-9-4-2-3-5-18-9/h7,9H,2-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyLEXXUNHZDOZENQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.00
Rot. Bonds4

About 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide

4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 79819213) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID79819213
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC2CCCCO2)csc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S2/c1-8-10(7-19-12(8)20(13,16)17)11(15)14-6-9-4-2-3-5-18-9/h7,9H,2-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyLEXXUNHZDOZENQ-UHFFFAOYSA-N
XLogP1.00
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 81041961
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 4883084
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide (CID 79819213) is 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide is Cc1c(C(=O)NCC2CCCCO2)csc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is LEXXUNHZDOZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-8-10(7-19-12(8)20(13,16)17)11(15)14-6-9-4-2-3-5-18-9/h7,9H,2-6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide?
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 79819213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).