4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide

C15H16N2O2S — CID 63357504

IUPAC4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Sc2ccc(OC)cc2)c1
InChIInChI=1S/C15H16N2O2S/c1-17-15(18)10-3-8-13(16)14(9-10)20-12-6-4-11(19-2)5-7-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUXMLQPDJEBETNO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.79
Rot. Bonds4

About 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide

4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide (PubChem CID 63357504) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
PubChem CID63357504
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Sc2ccc(OC)cc2)c1
InChIInChI=1S/C15H16N2O2S/c1-17-15(18)10-3-8-13(16)14(9-10)20-12-6-4-11(19-2)5-7-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUXMLQPDJEBETNO-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide
CID 82901760
3-amino-4-(4-bromophenyl)sulfanyl-N-methylbenzamide
CID 78984501
4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide
CID 63357200
4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide
CID 63856095
4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide
CID 63357331
4-amino-N-methyl-3-pyrimidin-4-ylsulfanylbenzamide
CID 63697796
4-amino-N-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzamide
CID 63357334
ethyl 2-[2-amino-5-(methylcarbamoyl)phenyl]sulfanylacetate
CID 63357249
methyl 4-amino-3-(3,4-difluorophenyl)sulfanylbenzoate
CID 82795995
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 5060578
4-amino-N-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]benzamide
CID 107785632
4-amino-N-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 63357592

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide?
The IUPAC name of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide (CID 63357504) is 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide is CNC(=O)c1ccc(N)c(Sc2ccc(OC)cc2)c1.
What is the InChIKey of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide?
The InChIKey is UXMLQPDJEBETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17-15(18)10-3-8-13(16)14(9-10)20-12-6-4-11(19-2)5-7-12/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide?
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide has a molecular weight of 288.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide is sourced from PubChem (CID 63357504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).