N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide

C21H17ClN2O2S — CID 126110640

IUPACN-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C21H17ClN2O2S/c1-26-18-4-2-3-16(13-18)21(25)24-23-14-15-5-9-19(10-6-15)27-20-11-7-17(22)8-12-20/h2-14H,1H3,(H,24,25)/b23-14-
InChIKeyCPPARYUKWOMHFM-UCQKPKSFSA-N
MW396.90 g/mol
LogP5.26
Rot. Bonds6

About N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide

N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 126110640) has the molecular formula C21H17ClN2O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
PubChem CID126110640
Molecular FormulaC21H17ClN2O2S
Molecular Weight396.90 g/mol
Exact Mass396.07
IUPAC NameN-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C21H17ClN2O2S/c1-26-18-4-2-3-16(13-18)21(25)24-23-14-15-5-9-19(10-6-15)27-20-11-7-17(22)8-12-20/h2-14H,1H3,(H,24,25)/b23-14-
InChIKeyCPPARYUKWOMHFM-UCQKPKSFSA-N
XLogP5.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.26
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-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126115211
[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3702836
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide (CID 126110640) is N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is CPPARYUKWOMHFM-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17ClN2O2S/c1-26-18-4-2-3-16(13-18)21(25)24-23-14-15-5-9-19(10-6-15)27-20-11-7-17(22)8-12-20/h2-14H,1H3,(H,24,25)/b23-14-.
What are the key properties of N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide?
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide has a molecular weight of 396.90 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 126110640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).