N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide

C19H14ClN3O3S — CID 3708913

IUPACN-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)NN=Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H14ClN3O3S/c20-17-9-8-15(23(25)26)10-14(17)11-21-22-19(24)12-27-18-7-3-5-13-4-1-2-6-16(13)18/h1-11H,12H2,(H,22,24)
InChIKeyIZJYDRUAIPHZNY-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.64
Rot. Bonds6

About N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide

N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 3708913) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
PubChem CID3708913
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC NameN-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)NN=Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H14ClN3O3S/c20-17-9-8-15(23(25)26)10-14(17)11-21-22-19(24)12-27-18-7-3-5-13-4-1-2-6-16(13)18/h1-11H,12H2,(H,22,24)
InChIKeyIZJYDRUAIPHZNY-UHFFFAOYSA-N
XLogP4.64
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135582572
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 4508794
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
2-chloro-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
CID 5334573
N-[(2-chloro-5-nitrophenyl)methylideneamino]hexanamide
CID 4955557
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6887774
2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 126259033
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(1H-indol-3-yl)butanamide
CID 4517188
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide (CID 3708913) is N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is O=C(CSc1cccc2ccccc12)NN=Cc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is IZJYDRUAIPHZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c20-17-9-8-15(23(25)26)10-14(17)11-21-22-19(24)12-27-18-7-3-5-13-4-1-2-6-16(13)18/h1-11H,12H2,(H,22,24).
What are the key properties of N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 399.86 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 3708913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).