N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide

C17H18N2OS — CID 762054

IUPACN-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
SMILESCc1ccc(C=NNC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c1-14-7-9-15(10-8-14)13-18-19-17(20)11-12-21-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyRZLSRBSAIKZGCN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.63
Rot. Bonds6

About N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide

N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide (PubChem CID 762054) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
PubChem CID762054
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
SMILESCc1ccc(C=NNC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c1-14-7-9-15(10-8-14)13-18-19-17(20)11-12-21-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyRZLSRBSAIKZGCN-UHFFFAOYSA-N
XLogP3.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.63
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

N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126135356
3-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 2531077
2-[(Z)-[3-(4-methylphenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
CID 126147425
3-(4-methylphenyl)sulfanyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 126126523
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 126151317
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126119941
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126137795
(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
CID 96886075
3-(4-methylphenyl)sulfanyl-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]propanamide
CID 126122043
4-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208851

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide (CID 762054) is N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide is Cc1ccc(C=NNC(=O)CCSc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The InChIKey is RZLSRBSAIKZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-14-7-9-15(10-8-14)13-18-19-17(20)11-12-21-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 762054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).