5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide

C13H22N2O5S — CID 65387670

IUPAC5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCCOCCC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H22N2O5S/c1-9(2)4-6-19-7-5-15-13(16)11-8-12(10(3)20-11)21(14,17)18/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyQQLBCLCSMOPZIK-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.03
Rot. Bonds8

About 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide

5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide (PubChem CID 65387670) has the molecular formula C13H22N2O5S and a molecular weight of 318.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
PubChem CID65387670
Molecular FormulaC13H22N2O5S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCCOCCC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H22N2O5S/c1-9(2)4-6-19-7-5-15-13(16)11-8-12(10(3)20-11)21(14,17)18/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyQQLBCLCSMOPZIK-UHFFFAOYSA-N
XLogP1.03
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[2-(3-methylbutoxy)ethylcarbamoyl]furan-3-sulfonyl chloride
CID 65395844
5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 115688805
5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 115491569
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387104
5-bromo-N-(2-butoxyethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388437
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255862
3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
CID 119190573
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide (CID 65387670) is 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide is Cc1oc(C(=O)NCCOCCC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide?
The InChIKey is QQLBCLCSMOPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-9(2)4-6-19-7-5-15-13(16)11-8-12(10(3)20-11)21(14,17)18/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide?
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 65387670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).