N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide

C14H17ClN2OS2 — CID 126273536

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
SMILESC/C(=N/NC(=O)CC1(C)SCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS2/c1-10(11-3-5-12(15)6-4-11)16-17-13(18)9-14(2)19-7-8-20-14/h3-6H,7-9H2,1-2H3,(H,17,18)/b16-10-
InChIKeyVFCDNKGUMBBTGF-YBEGLDIGSA-N
MW328.89 g/mol
LogP3.77
Rot. Bonds4

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide (PubChem CID 126273536) has the molecular formula C14H17ClN2OS2 and a molecular weight of 328.89 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
PubChem CID126273536
Molecular FormulaC14H17ClN2OS2
Molecular Weight328.89 g/mol
Exact Mass328.05
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
SMILESC/C(=N/NC(=O)CC1(C)SCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS2/c1-10(11-3-5-12(15)6-4-11)16-17-13(18)9-14(2)19-7-8-20-14/h3-6H,7-9H2,1-2H3,(H,17,18)/b16-10-
InChIKeyVFCDNKGUMBBTGF-YBEGLDIGSA-N
XLogP3.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 5037282
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657750
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
2-(4-chlorophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 4646464
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide (CID 126273536) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide is C/C(=N/NC(=O)CC1(C)SCCS1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
The InChIKey is VFCDNKGUMBBTGF-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H17ClN2OS2/c1-10(11-3-5-12(15)6-4-11)16-17-13(18)9-14(2)19-7-8-20-14/h3-6H,7-9H2,1-2H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide has a molecular weight of 328.89 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide is sourced from PubChem (CID 126273536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).