(NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine

C25H24N4O4S — CID 73348960

IUPAC(NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine
SMILESCOc1cc(-c2nnc(SC/C(=N/O)c3ccccc3)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O4S/c1-31-21-14-18(15-22(32-2)23(21)33-3)24-26-27-25(29(24)19-12-8-5-9-13-19)34-16-20(28-30)17-10-6-4-7-11-17/h4-15,30H,16H2,1-3H3/b28-20-
InChIKeyYWWNECHJACRDJU-RRAHZORUSA-N
MW476.56 g/mol
LogP4.93
Rot. Bonds9

About (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine

(NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine (PubChem CID 73348960) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine
PubChem CID73348960
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name(NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine
SMILESCOc1cc(-c2nnc(SC/C(=N/O)c3ccccc3)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O4S/c1-31-21-14-18(15-22(32-2)23(21)33-3)24-26-27-25(29(24)19-12-8-5-9-13-19)34-16-20(28-30)17-10-6-4-7-11-17/h4-15,30H,16H2,1-3H3/b28-20-
InChIKeyYWWNECHJACRDJU-RRAHZORUSA-N
XLogP4.93
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 1143009
N-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3166873
N-(2,4-dimethylphenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1143007
N-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6506933
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5336573
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3624861
2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
CID 10476947
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6861732
N-(2-methyl-5-nitrophenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3137226
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6879027
1-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 162022559
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6149495

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine (CID 73348960) is (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine is COc1cc(-c2nnc(SC/C(=N/O)c3ccccc3)n2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine?
The InChIKey is YWWNECHJACRDJU-RRAHZORUSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-31-21-14-18(15-22(32-2)23(21)33-3)24-26-27-25(29(24)19-12-8-5-9-13-19)34-16-20(28-30)17-10-6-4-7-11-17/h4-15,30H,16H2,1-3H3/b28-20-.
What are the key properties of (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine?
(NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine has a molecular weight of 476.56 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-phenyl-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylidene]hydroxylamine is sourced from PubChem (CID 73348960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).