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

C18H20N2O6S — CID 119222473

IUPAC5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C(=O)O
InChIInChI=1S/C18H20N2O6S/c1-11-16(18(22)23)9-14(26-11)10-20(2)17(21)12-4-3-5-15(8-12)27(24,25)19-13-6-7-13/h3-5,8-9,13,19H,6-7,10H2,1-2H3,(H,22,23)
InChIKeyALXVZKLHGDULIN-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.00
Rot. Bonds7

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

5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222473) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222473
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C(=O)O
InChIInChI=1S/C18H20N2O6S/c1-11-16(18(22)23)9-14(26-11)10-20(2)17(21)12-4-3-5-15(8-12)27(24,25)19-13-6-7-13/h3-5,8-9,13,19H,6-7,10H2,1-2H3,(H,22,23)
InChIKeyALXVZKLHGDULIN-UHFFFAOYSA-N
XLogP2.00
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.00
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-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75429210
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
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
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 46577867
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-(cyclobutylsulfamoyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 72939295
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-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222473) is 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C(=O)O.
What is the InChIKey of 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is ALXVZKLHGDULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-11-16(18(22)23)9-14(26-11)10-20(2)17(21)12-4-3-5-15(8-12)27(24,25)19-13-6-7-13/h3-5,8-9,13,19H,6-7,10H2,1-2H3,(H,22,23).
What are the key properties of 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 392.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).