butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate

C19H21N3O6S — CID 90665878

IUPACbutyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)cc1C
InChIInChI=1S/C19H21N3O6S/c1-3-4-9-28-19(24)21-15-8-7-14(11-13(15)2)29(25,26)22-12-16(20-18(22)23)17-6-5-10-27-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCZNBNGFFNWJHGU-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.33
Rot. Bonds7

About butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate

butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate (PubChem CID 90665878) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate
PubChem CID90665878
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Namebutyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate
SMILESCCCCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)cc1C
InChIInChI=1S/C19H21N3O6S/c1-3-4-9-28-19(24)21-15-8-7-14(11-13(15)2)29(25,26)22-12-16(20-18(22)23)17-6-5-10-27-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCZNBNGFFNWJHGU-UHFFFAOYSA-N
XLogP3.33
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate?
The IUPAC name of butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate (CID 90665878) is butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate.
What is the SMILES notation for butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate?
The canonical SMILES for butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate is CCCCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)cc1C.
What is the InChIKey of butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate?
The InChIKey is CZNBNGFFNWJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-3-4-9-28-19(24)21-15-8-7-14(11-13(15)2)29(25,26)22-12-16(20-18(22)23)17-6-5-10-27-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate?
butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate has a molecular weight of 419.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-[[5-(furan-2-yl)-2-oxo-1H-imidazol-3-yl]sulfonyl]-2-methylphenyl]carbamate is sourced from PubChem (CID 90665878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).