3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide

C18H19ClN2O2S — CID 6321970

IUPAC3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C18H19ClN2O2S/c1-13-3-4-14(11-17(13)23-2)12-20-21-18(22)9-10-24-16-7-5-15(19)6-8-16/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)/b20-12+
InChIKeyHTMKFWBDCAXVJL-UDWIEESQSA-N
MW362.88 g/mol
LogP4.29
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide

3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide (PubChem CID 6321970) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide
PubChem CID6321970
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C18H19ClN2O2S/c1-13-3-4-14(11-17(13)23-2)12-20-21-18(22)9-10-24-16-7-5-15(19)6-8-16/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)/b20-12+
InChIKeyHTMKFWBDCAXVJL-UDWIEESQSA-N
XLogP4.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.29
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

2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methoxy-4-methylphenyl)methylideneamino]acetamide
CID 5393653
[4-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
CID 6078379
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide
CID 126191634
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126126416
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126137795
N-(2-chlorophenyl)-N'-[(3-methoxy-4-methylphenyl)methylideneamino]butanediamide
CID 3707643
[4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 1180428
3-(4-chlorophenyl)sulfanyl-N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]propanamide
CID 8022981
[4-[[[4-[2-[[4-(4-chlorobenzoyl)oxy-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 4110059
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126136682
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide (CID 6321970) is 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide is COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1C.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide?
The InChIKey is HTMKFWBDCAXVJL-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-13-3-4-14(11-17(13)23-2)12-20-21-18(22)9-10-24-16-7-5-15(19)6-8-16/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)/b20-12+.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide has a molecular weight of 362.88 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6321970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).