N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide

C18H19N3O4S — CID 126126416

IUPACN-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(/C=N\NC(=O)CCSc2ccc(C)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4S/c1-13-3-6-15(7-4-13)26-10-9-18(22)20-19-12-14-5-8-17(25-2)16(11-14)21(23)24/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)/b19-12-
InChIKeyRPTNXFROYBYNBW-UNOMPAQXSA-N
MW373.43 g/mol
LogP3.54
Rot. Bonds8

About N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide

N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 126126416) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID126126416
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(/C=N\NC(=O)CCSc2ccc(C)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4S/c1-13-3-6-15(7-4-13)26-10-9-18(22)20-19-12-14-5-8-17(25-2)16(11-14)21(23)24/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)/b19-12-
InChIKeyRPTNXFROYBYNBW-UNOMPAQXSA-N
XLogP3.54
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126137795
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide
CID 6321970
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
3-(4-chlorophenyl)sulfanyl-N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]propanamide
CID 8022981
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126135356
[4-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
CID 6078379
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19182437
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 110525209

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (CID 126126416) is N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide is COc1ccc(/C=N\NC(=O)CCSc2ccc(C)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is RPTNXFROYBYNBW-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-13-3-6-15(7-4-13)26-10-9-18(22)20-19-12-14-5-8-17(25-2)16(11-14)21(23)24/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)/b19-12-.
What are the key properties of N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 373.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 126126416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).