N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide

C14H13BrN2O2S — CID 1279253

IUPACN-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(Br)c(Sc2ccc(C)cc2)o1
InChIInChI=1S/C14H13BrN2O2S/c1-9-3-5-12(6-4-9)20-14-13(15)7-11(19-14)8-16-17-10(2)18/h3-8H,1-2H3,(H,17,18)
InChIKeyKJVDCSXTCKPALP-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.97
Rot. Bonds4

About N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide

N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide (PubChem CID 1279253) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
PubChem CID1279253
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(Br)c(Sc2ccc(C)cc2)o1
InChIInChI=1S/C14H13BrN2O2S/c1-9-3-5-12(6-4-9)20-14-13(15)7-11(19-14)8-16-17-10(2)18/h3-8H,1-2H3,(H,17,18)
InChIKeyKJVDCSXTCKPALP-UHFFFAOYSA-N
XLogP3.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide
CID 3756517
N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126249111
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
CID 3760972
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide
CID 126009551
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-2-carboxamide
CID 4669124
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-3-fluorobenzamide
CID 126006002
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3934800
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide
CID 124534060
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 126003143
(Z)-3-(4-bromo-5-phenylsulfanylfuran-2-yl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 126002897
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
1-methyl-3-[(E)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]thiourea
CID 6176056

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide?
The IUPAC name of N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide (CID 1279253) is N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide?
The canonical SMILES for N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide is CC(=O)NN=Cc1cc(Br)c(Sc2ccc(C)cc2)o1.
What is the InChIKey of N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide?
The InChIKey is KJVDCSXTCKPALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-9-3-5-12(6-4-9)20-14-13(15)7-11(19-14)8-16-17-10(2)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide?
N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide has a molecular weight of 353.24 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 1279253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).