4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O6S — CID 119230045

IUPAC4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1oc(C(=O)NC2CCC(C(=O)O)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O6S/c1-7-11(22(14,19)20)6-10(21-7)12(16)15-9-4-2-8(3-5-9)13(17)18/h6,8-9H,2-5H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
InChIKeyVEXMQBVBXKPRHQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP0.61
Rot. Bonds4

About 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119230045) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119230045
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Name4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1oc(C(=O)NC2CCC(C(=O)O)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O6S/c1-7-11(22(14,19)20)6-10(21-7)12(16)15-9-4-2-8(3-5-9)13(17)18/h6,8-9H,2-5H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
InChIKeyVEXMQBVBXKPRHQ-UHFFFAOYSA-N
XLogP0.61
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
5-methyl-4-sulfamoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)furan-2-carboxamide
CID 103767080
5-[(4,4-dimethylcyclohexyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398806
2-cyclopropyl-2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]acetic acid
CID 119213842
N-[(1S,3R)-3-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]cyclopentyl]-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 167881212
2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397430
5-bromo-N-cycloheptyl-4-sulfamoylfuran-2-carboxamide
CID 65374860
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
N-(cyclopropylmethyl)-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65386276
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119230045) is 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1oc(C(=O)NC2CCC(C(=O)O)CC2)cc1S(N)(=O)=O.
What is the InChIKey of 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VEXMQBVBXKPRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S/c1-7-11(22(14,19)20)6-10(21-7)12(16)15-9-4-2-8(3-5-9)13(17)18/h6,8-9H,2-5H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20).
What are the key properties of 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).