2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide

C17H17ClN2OS — CID 95989152

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2OS/c1-13-4-2-5-14(8-13)10-19-20-17(21)12-22-11-15-6-3-7-16(18)9-15/h2-10H,11-12H2,1H3,(H,20,21)/b19-10-
InChIKeyBTEMMPUIBZRKHS-GRSHGNNSSA-N
MW332.86 g/mol
LogP4.03
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide (PubChem CID 95989152) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
PubChem CID95989152
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H17ClN2OS/c1-13-4-2-5-14(8-13)10-19-20-17(21)12-22-11-15-6-3-7-16(18)9-15/h2-10H,11-12H2,1H3,(H,20,21)/b19-10-
InChIKeyBTEMMPUIBZRKHS-GRSHGNNSSA-N
XLogP4.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 94838596
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-[(Z)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 92850684
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143775
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 6105640
2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 2261299
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
2-[(4-methylphenyl)methylsulfanyl]-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5025244
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide (CID 95989152) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide is Cc1cccc(/C=N\NC(=O)CSCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is BTEMMPUIBZRKHS-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-13-4-2-5-14(8-13)10-19-20-17(21)12-22-11-15-6-3-7-16(18)9-15/h2-10H,11-12H2,1H3,(H,20,21)/b19-10-.
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 332.86 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 95989152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).