5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C16H18N2O6S — CID 75429210

IUPAC5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-10-14(16(20)21)8-13(24-10)9-18(2)15(19)11-5-4-6-12(7-11)17-25(3,22)23/h4-8,17H,9H2,1-3H3,(H,20,21)
InChIKeyCTOMEMGONGHPGQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.93
Rot. Bonds6

About 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 75429210) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID75429210
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-10-14(16(20)21)8-13(24-10)9-18(2)15(19)11-5-4-6-12(7-11)17-25(3,22)23/h4-8,17H,9H2,1-3H3,(H,20,21)
InChIKeyCTOMEMGONGHPGQ-UHFFFAOYSA-N
XLogP1.93
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-ethylsulfonylbenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523015
5-[[[3-(cyclohexanecarbonylamino)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222065
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222473
5-[[[4-(dimethylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222465
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
2-methyl-5-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 119226985
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222188

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 75429210) is 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1C(=O)O.
What is the InChIKey of 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is CTOMEMGONGHPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-10-14(16(20)21)8-13(24-10)9-18(2)15(19)11-5-4-6-12(7-11)17-25(3,22)23/h4-8,17H,9H2,1-3H3,(H,20,21).
What are the key properties of 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 75429210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).