N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide

C15H19ClN2O2S2 — CID 6219987

IUPACN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)CC1(C)SCCS1
InChIInChI=1S/C15H19ClN2O2S2/c1-3-20-13-5-4-12(16)8-11(13)10-17-18-14(19)9-15(2)21-6-7-22-15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)/b17-10-
InChIKeySBKVHKRDTHMLGG-YVLHZVERSA-N
MW358.92 g/mol
LogP3.78
Rot. Bonds6

About N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide

N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide (PubChem CID 6219987) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
PubChem CID6219987
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC NameN-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)CC1(C)SCCS1
InChIInChI=1S/C15H19ClN2O2S2/c1-3-20-13-5-4-12(16)8-11(13)10-17-18-14(19)9-15(2)21-6-7-22-15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)/b17-10-
InChIKeySBKVHKRDTHMLGG-YVLHZVERSA-N
XLogP3.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
CID 126382035
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6151114
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]thiourea
CID 5412812
2-(4-chlorophenyl)-N-[(E)-(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 51061462
N-(2-bromophenyl)-N'-[(5-chloro-2-ethoxyphenyl)methylideneamino]propanediamide
CID 5206376
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
N'-[(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4011223
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 126110168
N-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6250397

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
The IUPAC name of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide (CID 6219987) is N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide is CCOc1ccc(Cl)cc1/C=N\NC(=O)CC1(C)SCCS1.
What is the InChIKey of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
The InChIKey is SBKVHKRDTHMLGG-YVLHZVERSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-3-20-13-5-4-12(16)8-11(13)10-17-18-14(19)9-15(2)21-6-7-22-15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide has a molecular weight of 358.92 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide is sourced from PubChem (CID 6219987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).