5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C16H18N2O6S — CID 119226653

IUPAC5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1ccc(C(=O)NCc2cc(C(=O)O)c(C)o2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H18N2O6S/c1-9-4-5-11(6-14(9)18-25(3,22)23)15(19)17-8-12-7-13(16(20)21)10(2)24-12/h4-7,18H,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyXDDJERMESUKXSU-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.90
Rot. Bonds6

About 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226653) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226653
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1ccc(C(=O)NCc2cc(C(=O)O)c(C)o2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H18N2O6S/c1-9-4-5-11(6-14(9)18-25(3,22)23)15(19)17-8-12-7-13(16(20)21)10(2)24-12/h4-7,18H,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyXDDJERMESUKXSU-UHFFFAOYSA-N
XLogP1.90
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[(3-ethylsulfonylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523931
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
2-methyl-5-[[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 122146239
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
5-[[[4-(tert-butylsulfamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226308
2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 119226985
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226653) is 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1ccc(C(=O)NCc2cc(C(=O)O)c(C)o2)cc1NS(C)(=O)=O.
What is the InChIKey of 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is XDDJERMESUKXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-9-4-5-11(6-14(9)18-25(3,22)23)15(19)17-8-12-7-13(16(20)21)10(2)24-12/h4-7,18H,8H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(methanesulfonamido)-4-methylbenzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).