2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid

C14H16N2O7S — CID 119222556

IUPAC2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1C(=O)O
InChIInChI=1S/C14H16N2O7S/c1-7-10(14(18)19)4-9(22-7)6-16(3)13(17)11-5-12(8(2)23-11)24(15,20)21/h4-5H,6H2,1-3H3,(H,18,19)(H2,15,20,21)
InChIKeyICWPVQTWPLLFNJ-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.11
Rot. Bonds5

About 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 119222556) has the molecular formula C14H16N2O7S and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID119222556
Molecular FormulaC14H16N2O7S
Molecular Weight356.36 g/mol
Exact Mass356.07
IUPAC Name2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1C(=O)O
InChIInChI=1S/C14H16N2O7S/c1-7-10(14(18)19)4-9(22-7)6-16(3)13(17)11-5-12(8(2)23-11)24(15,20)21/h4-5H,6H2,1-3H3,(H,18,19)(H2,15,20,21)
InChIKeyICWPVQTWPLLFNJ-UHFFFAOYSA-N
XLogP1.11
TPSA144.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
CID 119228618
N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-4-sulfamoylfuran-2-carboxamide
CID 71855621
N-(cyclopropylmethyl)-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65386276
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
5-[[[4-(dimethylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222465
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
5-[[(3-ethylsulfonylbenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523015
2-methyl-5-[[methyl-(6-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119221765
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157
5-[[2,3-dimethylbutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 119222556) is 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is ICWPVQTWPLLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O7S/c1-7-10(14(18)19)4-9(22-7)6-16(3)13(17)11-5-12(8(2)23-11)24(15,20)21/h4-5H,6H2,1-3H3,(H,18,19)(H2,15,20,21).
What are the key properties of 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119222556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).