3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide

C16H18N2O2S — CID 82992971

IUPAC3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
SMILESCSc1ccc(Oc2ccc(C(=O)N(C)C)cc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-18(2)16(19)11-4-9-15(14(17)10-11)20-12-5-7-13(21-3)8-6-12/h4-10H,17H2,1-3H3
InChIKeyLUPKGRBLBUEZKT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.48
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide

3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide (PubChem CID 82992971) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
PubChem CID82992971
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
SMILESCSc1ccc(Oc2ccc(C(=O)N(C)C)cc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-18(2)16(19)11-4-9-15(14(17)10-11)20-12-5-7-13(21-3)8-6-12/h4-10H,17H2,1-3H3
InChIKeyLUPKGRBLBUEZKT-UHFFFAOYSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
CID 82990529
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
CID 82993412
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992737
3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
CID 82989678
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
CID 63647834
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide (CID 82992971) is 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide is CSc1ccc(Oc2ccc(C(=O)N(C)C)cc2N)cc1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide?
The InChIKey is LUPKGRBLBUEZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18(2)16(19)11-4-9-15(14(17)10-11)20-12-5-7-13(21-3)8-6-12/h4-10H,17H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide?
3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide has a molecular weight of 302.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide is sourced from PubChem (CID 82992971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).