4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

C14H22N2O5S — CID 167943892

IUPAC4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C14H22N2O5S/c1-10-13(9-12(21-10)14(17)18)22(19,20)15-7-8-16(2)11-5-3-4-6-11/h9,11,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyUXPXVMAFHRXSMG-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.44
Rot. Bonds7

About 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 167943892) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID167943892
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C14H22N2O5S/c1-10-13(9-12(21-10)14(17)18)22(19,20)15-7-8-16(2)11-5-3-4-6-11/h9,11,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyUXPXVMAFHRXSMG-UHFFFAOYSA-N
XLogP1.44
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 63296235
4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106120479
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859
5-methyl-4-(pent-3-ynylsulfamoyl)furan-2-carboxylic acid
CID 116642774
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 167943892) is 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is UXPXVMAFHRXSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-10-13(9-12(21-10)14(17)18)22(19,20)15-7-8-16(2)11-5-3-4-6-11/h9,11,15H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 167943892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).