5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid

C14H21NO5S — CID 62805034

IUPAC5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)C1CCCCC1C
InChIInChI=1S/C14H21NO5S/c1-9-6-4-5-7-11(9)15(3)21(18,19)13-8-12(14(16)17)20-10(13)2/h8-9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyMMSCGQRSUIFQJR-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.49
Rot. Bonds4

About 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid

5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62805034) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62805034
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)C1CCCCC1C
InChIInChI=1S/C14H21NO5S/c1-9-6-4-5-7-11(9)15(3)21(18,19)13-8-12(14(16)17)20-10(13)2/h8-9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyMMSCGQRSUIFQJR-UHFFFAOYSA-N
XLogP2.49
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803631
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610
5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62803816
5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
CID 62804138
4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805254
5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 104656520
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 167943892
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 61113686
4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805395
N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165021

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid (CID 62805034) is 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)C1CCCCC1C.
What is the InChIKey of 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is MMSCGQRSUIFQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-9-6-4-5-7-11(9)15(3)21(18,19)13-8-12(14(16)17)20-10(13)2/h8-9,11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62805034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).