7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid

C14H22N2O6S — CID 119350785

IUPAC7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCCCCC(=O)O)c(C)o1
InChIInChI=1S/C14H22N2O6S/c1-10-11(9-13(22-10)23(20,21)15-2)14(19)16-8-6-4-3-5-7-12(17)18/h9,15H,3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNUOSORPVNQWRPQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.26
Rot. Bonds10

About 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid

7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid (PubChem CID 119350785) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid
PubChem CID119350785
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC Name7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCCCCC(=O)O)c(C)o1
InChIInChI=1S/C14H22N2O6S/c1-10-11(9-13(22-10)23(20,21)15-2)14(19)16-8-6-4-3-5-7-12(17)18/h9,15H,3-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNUOSORPVNQWRPQ-UHFFFAOYSA-N
XLogP1.26
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide
CID 119507697
2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid
CID 120518391
6-[(2-methyl-5-methylsulfonylbenzoyl)amino]hexanoic acid
CID 119219761
5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 119434335
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298
N-(3-aminopropyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119409085
cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674746
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
2-methyl-5-(methylsulfamoyl)-N-(2-thiophen-3-ylpropyl)furan-3-carboxamide
CID 71860079
1-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120531056

Frequently Asked Questions

What is the IUPAC name of 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid (CID 119350785) is 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid is CNS(=O)(=O)c1cc(C(=O)NCCCCCCC(=O)O)c(C)o1.
What is the InChIKey of 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid?
The InChIKey is NUOSORPVNQWRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-10-11(9-13(22-10)23(20,21)15-2)14(19)16-8-6-4-3-5-7-12(17)18/h9,15H,3-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid?
7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid has a molecular weight of 346.41 g/mol, XLogP of 1.26, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 119350785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).