N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide

C24H24N4O2S3 — CID 4686407

IUPACN-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide
SMILESCSc1sc(SC)c(C=NNC(=O)Cc2ccccc2)c1C=NNC(=O)Cc1ccccc1
InChIInChI=1S/C24H24N4O2S3/c1-31-23-19(15-25-27-21(29)13-17-9-5-3-6-10-17)20(24(32-2)33-23)16-26-28-22(30)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyLRELMDRSFFEMDS-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.58
Rot. Bonds10

About N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide

N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide (PubChem CID 4686407) has the molecular formula C24H24N4O2S3 and a molecular weight of 496.68 g/mol. Its IUPAC name is N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide
PubChem CID4686407
Molecular FormulaC24H24N4O2S3
Molecular Weight496.68 g/mol
Exact Mass496.11
IUPAC NameN-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide
SMILESCSc1sc(SC)c(C=NNC(=O)Cc2ccccc2)c1C=NNC(=O)Cc1ccccc1
InChIInChI=1S/C24H24N4O2S3/c1-31-23-19(15-25-27-21(29)13-17-9-5-3-6-10-17)20(24(32-2)33-23)16-26-28-22(30)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyLRELMDRSFFEMDS-UHFFFAOYSA-N
XLogP4.58
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
CID 135578491
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 135578539
N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
CID 2841647
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
CID 6088161
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5418164
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136786095
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide (CID 4686407) is N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide is CSc1sc(SC)c(C=NNC(=O)Cc2ccccc2)c1C=NNC(=O)Cc1ccccc1.
What is the InChIKey of N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide?
The InChIKey is LRELMDRSFFEMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S3/c1-31-23-19(15-25-27-21(29)13-17-9-5-3-6-10-17)20(24(32-2)33-23)16-26-28-22(30)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide?
N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide has a molecular weight of 496.68 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 4686407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).