N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide

C18H22N2O2S — CID 163625948

IUPACN-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide
SMILESCCc1cc(NSC)c(OC)c(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2S/c1-5-13-10-15(17(22-3)16(11-13)20-23-4)19-18(21)14-8-6-12(2)7-9-14/h6-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyHRZYIXDCSNVNID-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.51
Rot. Bonds6

About N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide

N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide (PubChem CID 163625948) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide
PubChem CID163625948
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide
SMILESCCc1cc(NSC)c(OC)c(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2S/c1-5-13-10-15(17(22-3)16(11-13)20-23-4)19-18(21)14-8-6-12(2)7-9-14/h6-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyHRZYIXDCSNVNID-UHFFFAOYSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-5-methylphenyl)-4-methylbenzamide
CID 130461035
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-(diethylaminomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 46435285
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 82179481

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide?
The IUPAC name of N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide (CID 163625948) is N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide is CCc1cc(NSC)c(OC)c(NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide?
The InChIKey is HRZYIXDCSNVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-5-13-10-15(17(22-3)16(11-13)20-23-4)19-18(21)14-8-6-12(2)7-9-14/h6-11,20H,5H2,1-4H3,(H,19,21).
What are the key properties of N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide?
N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide has a molecular weight of 330.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methylbenzamide is sourced from PubChem (CID 163625948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).