2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C19H15ClN2O2S — CID 135611181

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15ClN2O2S/c20-14-6-8-15(9-7-14)25-12-19(24)22-21-11-17-16-4-2-1-3-13(16)5-10-18(17)23/h1-11,23H,12H2,(H,22,24)/b21-11+
InChIKeyKAUBKWGOPWEYHE-SRZZPIQSSA-N
MW370.86 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135611181) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135611181
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15ClN2O2S/c20-14-6-8-15(9-7-14)25-12-19(24)22-21-11-17-16-4-2-1-3-13(16)5-10-18(17)23/h1-11,23H,12H2,(H,22,24)/b21-11+
InChIKeyKAUBKWGOPWEYHE-SRZZPIQSSA-N
XLogP4.44
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135611181) is 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is KAUBKWGOPWEYHE-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-14-6-8-15(9-7-14)25-12-19(24)22-21-11-17-16-4-2-1-3-13(16)5-10-18(17)23/h1-11,23H,12H2,(H,22,24)/b21-11+.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 370.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135611181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).