N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide

C11H16N2O5S3 — CID 81041961

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC2CCCS2(=O)=O)csc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O5S3/c1-7-9(6-19-11(7)21(12,17)18)10(14)13-5-8-3-2-4-20(8,15)16/h6,8H,2-5H2,1H3,(H,13,14)(H2,12,17,18)
InChIKeyIRDAEFNGLUQAJT-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.01
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide

N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide (PubChem CID 81041961) has the molecular formula C11H16N2O5S3 and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide
PubChem CID81041961
Molecular FormulaC11H16N2O5S3
Molecular Weight352.46 g/mol
Exact Mass352.02
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)NCC2CCCS2(=O)=O)csc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O5S3/c1-7-9(6-19-11(7)21(12,17)18)10(14)13-5-8-3-2-4-20(8,15)16/h6,8H,2-5H2,1H3,(H,13,14)(H2,12,17,18)
InChIKeyIRDAEFNGLUQAJT-UHFFFAOYSA-N
XLogP0.01
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 79819054
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 81040165
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-3-methylbenzamide
CID 81344083
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
N-[(1,1-dioxothiolan-2-yl)methyl]-2,5-dihydroxybenzamide
CID 107723405
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-5-methylbenzamide
CID 81038448
N-[(1,1-dioxothiolan-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107032927
ethyl 4-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698164
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
CID 102915529
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
CID 81040301
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-5-fluorobenzamide
CID 81041232

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide (CID 81041961) is N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide is Cc1c(C(=O)NCC2CCCS2(=O)=O)csc1S(N)(=O)=O.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is IRDAEFNGLUQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S3/c1-7-9(6-19-11(7)21(12,17)18)10(14)13-5-8-3-2-4-20(8,15)16/h6,8H,2-5H2,1H3,(H,13,14)(H2,12,17,18).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 81041961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).