(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide

C21H20N2OS — CID 126147149

IUPAC(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
SMILESCc1ccc(S[C@H](C)C(=O)N/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2OS/c1-15-10-12-19(13-11-15)25-16(2)21(24)23-22-14-18-8-5-7-17-6-3-4-9-20(17)18/h3-14,16H,1-2H3,(H,23,24)/b22-14-/t16-/m1/s1
InChIKeySXTFHAAOZYULJH-LRSOKBAUSA-N
MW348.47 g/mol
LogP4.78
Rot. Bonds5

About (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide

(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide (PubChem CID 126147149) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
PubChem CID126147149
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
SMILESCc1ccc(S[C@H](C)C(=O)N/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2OS/c1-15-10-12-19(13-11-15)25-16(2)21(24)23-22-14-18-8-5-7-17-6-3-4-9-20(17)18/h3-14,16H,1-2H3,(H,23,24)/b22-14-/t16-/m1/s1
InChIKeySXTFHAAOZYULJH-LRSOKBAUSA-N
XLogP4.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 137065289
(2S)-N-[(Z)-benzylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126128248
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126122182
2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 5046667
2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135473290
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 136754632
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
(2R)-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-2-phenylsulfanylpropanamide
CID 94838542
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
[4-[(Z)-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]hydrazinylidene]methyl]phenyl] acetate
CID 126124421
(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 126127045
(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide
CID 126123139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide (CID 126147149) is (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide is Cc1ccc(S[C@H](C)C(=O)N/N=C\c2cccc3ccccc23)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
The InChIKey is SXTFHAAOZYULJH-LRSOKBAUSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-15-10-12-19(13-11-15)25-16(2)21(24)23-22-14-18-8-5-7-17-6-3-4-9-20(17)18/h3-14,16H,1-2H3,(H,23,24)/b22-14-/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide?
(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide has a molecular weight of 348.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide is sourced from PubChem (CID 126147149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).