N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide

C21H24N4O2S2 — CID 4990030

IUPACN,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
SMILESCSc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(SC)cc2)cc1
InChIInChI=1S/C21H24N4O2S2/c1-28-18-10-6-16(7-11-18)14-22-24-20(26)4-3-5-21(27)25-23-15-17-8-12-19(29-2)13-9-17/h6-15H,3-5H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGHJFCSPSIDMUCM-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.90
Rot. Bonds10

About N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide

N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide (PubChem CID 4990030) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
PubChem CID4990030
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC NameN,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
SMILESCSc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(SC)cc2)cc1
InChIInChI=1S/C21H24N4O2S2/c1-28-18-10-6-16(7-11-18)14-22-24-20(26)4-3-5-21(27)25-23-15-17-8-12-19(29-2)13-9-17/h6-15H,3-5H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGHJFCSPSIDMUCM-UHFFFAOYSA-N
XLogP3.90
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide 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

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylsulfanylphenyl)acetamide
CID 139082262
N-(4-fluorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 4218868
N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 94847475
N-(3-methoxypropyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 6369097
N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
CID 54610044
N-(4-chlorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 5145902
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide
CID 3356012
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
N-(3-methoxypropyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 21212746
2-(4-methoxyanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5427968

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide (CID 4990030) is N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide is CSc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(SC)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide?
The InChIKey is GHJFCSPSIDMUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c1-28-18-10-6-16(7-11-18)14-22-24-20(26)4-3-5-21(27)25-23-15-17-8-12-19(29-2)13-9-17/h6-15H,3-5H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide?
N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide has a molecular weight of 428.58 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 4990030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).