4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide

C12H18N2O2S — CID 63856095

IUPAC4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(SCCCOC)c1
InChIInChI=1S/C12H18N2O2S/c1-14-12(15)9-4-5-10(13)11(8-9)17-7-3-6-16-2/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyURUPSQGCJFEMKC-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.76
Rot. Bonds6

About 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide

4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide (PubChem CID 63856095) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide
PubChem CID63856095
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(SCCCOC)c1
InChIInChI=1S/C12H18N2O2S/c1-14-12(15)9-4-5-10(13)11(8-9)17-7-3-6-16-2/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyURUPSQGCJFEMKC-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(2-methoxyethylsulfanyl)benzamide
CID 55190903
ethyl 2-[2-amino-5-(methylcarbamoyl)phenyl]sulfanylacetate
CID 63357249
2-(3-methoxypropylsulfanyl)-4-methylaniline
CID 79142732
4-chloro-2-(3-methoxypropylsulfanyl)aniline
CID 79527904
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
CID 63357504
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
CID 63357003
4-amino-N-ethyl-3-(2-methylsulfonylethylsulfanyl)benzamide
CID 63658099
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
3-amino-N-methyl-4-[2-(methylamino)-2-oxoethyl]sulfanylbenzamide
CID 114231695
3-amino-4-(2-methoxyethylsulfanyl)benzamide
CID 43448635
4-amino-N-methyl-3-pyrimidin-4-ylsulfanylbenzamide
CID 63697796

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide (CID 63856095) is 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide is CNC(=O)c1ccc(N)c(SCCCOC)c1.
What is the InChIKey of 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide?
The InChIKey is URUPSQGCJFEMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14-12(15)9-4-5-10(13)11(8-9)17-7-3-6-16-2/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide?
4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide has a molecular weight of 254.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxypropylsulfanyl)-N-methylbenzamide is sourced from PubChem (CID 63856095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).