5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid

C12H13NO5S2 — CID 60951268

IUPAC5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1ccsc1CN(C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H13NO5S2/c1-8-5-6-19-10(8)7-13(2)20(16,17)11-4-3-9(18-11)12(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyDOXXNJVAECIJMS-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.17
Rot. Bonds5

About 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid

5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 60951268) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID60951268
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1ccsc1CN(C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H13NO5S2/c1-8-5-6-19-10(8)7-13(2)20(16,17)11-4-3-9(18-11)12(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyDOXXNJVAECIJMS-UHFFFAOYSA-N
XLogP2.17
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
5-[(3-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 29077645
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764
4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 65056095
2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81435953
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62986254
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 51183787
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 63207582

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid (CID 60951268) is 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid is Cc1ccsc1CN(C)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is DOXXNJVAECIJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c1-8-5-6-19-10(8)7-13(2)20(16,17)11-4-3-9(18-11)12(14)15/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60951268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).