N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C20H15ClN6OS — CID 71588654

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN6OS/c21-16-8-3-5-14(11-16)12-22-23-19(28)13-29-20-24-25-26-27(20)18-10-4-7-15-6-1-2-9-17(15)18/h1-12H,13H2,(H,23,28)/b22-12+
InChIKeyKCBJFGKDUQWZRQ-WSDLNYQXSA-N
MW422.90 g/mol
LogP3.71
Rot. Bonds6

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 71588654) has the molecular formula C20H15ClN6OS and a molecular weight of 422.90 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID71588654
Molecular FormulaC20H15ClN6OS
Molecular Weight422.90 g/mol
Exact Mass422.07
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN6OS/c21-16-8-3-5-14(11-16)12-22-23-19(28)13-29-20-24-25-26-27(20)18-10-4-7-15-6-1-2-9-17(15)18/h1-12H,13H2,(H,23,28)/b22-12+
InChIKeyKCBJFGKDUQWZRQ-WSDLNYQXSA-N
XLogP3.71
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588657
N-[(2-hydroxyphenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 137228450
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5450385
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 1244330
N-[(3-chlorophenyl)methyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8798952
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 136663443
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 134876078
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 5275084
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 135435561

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 71588654) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KCBJFGKDUQWZRQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15ClN6OS/c21-16-8-3-5-14(11-16)12-22-23-19(28)13-29-20-24-25-26-27(20)18-10-4-7-15-6-1-2-9-17(15)18/h1-12H,13H2,(H,23,28)/b22-12+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 422.90 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 71588654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).