formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

C16H22N2O7S — CID 171322623

IUPACformic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2ccc(-c3cc(C)no3)o2)CC1.O=CO
InChIInChI=1S/C15H20N2O5S.CH2O2/c1-10-9-14(22-16-10)13-7-8-15(21-13)23(18,19)17-11-3-5-12(20-2)6-4-11;2-1-3/h7-9,11-12,17H,3-6H2,1-2H3;1H,(H,2,3)
InChIKeyNJFVSPCRRBJPCZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.18
Rot. Bonds5

About formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (PubChem CID 171322623) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.

Molecular Properties

Compound Nameformic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
PubChem CID171322623
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Nameformic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2ccc(-c3cc(C)no3)o2)CC1.O=CO
InChIInChI=1S/C15H20N2O5S.CH2O2/c1-10-9-14(22-16-10)13-7-8-15(21-13)23(18,19)17-11-3-5-12(20-2)6-4-11;2-1-3/h7-9,11-12,17H,3-6H2,1-2H3;1H,(H,2,3)
InChIKeyNJFVSPCRRBJPCZ-UHFFFAOYSA-N
XLogP2.18
TPSA131.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073598
N-[(2R)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073597
N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20917435
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085828
N-(2,3-dimethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085804
N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085799
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085812
N-cyclopropyl-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
CID 50784763
3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole
CID 53085838
N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The IUPAC name of formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (CID 171322623) is formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.
What is the SMILES notation for formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The canonical SMILES for formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is COC1CCC(NS(=O)(=O)c2ccc(-c3cc(C)no3)o2)CC1.O=CO.
What is the InChIKey of formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The InChIKey is NJFVSPCRRBJPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S.CH2O2/c1-10-9-14(22-16-10)13-7-8-15(21-13)23(18,19)17-11-3-5-12(20-2)6-4-11;2-1-3/h7-9,11-12,17H,3-6H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide has a molecular weight of 386.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is sourced from PubChem (CID 171322623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).