3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

C13H20N2O2S — CID 112656487

IUPAC3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CSC)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9(8-18-4)15(2)13(16)10-5-6-12(17-3)11(14)7-10/h5-7,9H,8,14H2,1-4H3
InChIKeyMXUTUJDZLPOSFC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.10
Rot. Bonds5

About 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 112656487) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID112656487
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CSC)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9(8-18-4)15(2)13(16)10-5-6-12(17-3)11(14)7-10/h5-7,9H,8,14H2,1-4H3
InChIKeyMXUTUJDZLPOSFC-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.10
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-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112701900
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598
3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61116791
4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692087

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 112656487) is 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is COc1ccc(C(=O)N(C)C(C)CSC)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is MXUTUJDZLPOSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(8-18-4)15(2)13(16)10-5-6-12(17-3)11(14)7-10/h5-7,9H,8,14H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 268.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 112656487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).