N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide

C13H20N2OS — CID 43734490

IUPACN,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide
SMILESCNC(=O)c1cccc(NCCCSC)c1C
InChIInChI=1S/C13H20N2OS/c1-10-11(13(16)14-2)6-4-7-12(10)15-8-5-9-17-3/h4,6-7,15H,5,8-9H2,1-3H3,(H,14,16)
InChIKeyFWYXSXRIEPZVMK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.52
Rot. Bonds6

About N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide

N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide (PubChem CID 43734490) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide
PubChem CID43734490
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide
SMILESCNC(=O)c1cccc(NCCCSC)c1C
InChIInChI=1S/C13H20N2OS/c1-10-11(13(16)14-2)6-4-7-12(10)15-8-5-9-17-3/h4,6-7,15H,5,8-9H2,1-3H3,(H,14,16)
InChIKeyFWYXSXRIEPZVMK-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
2-methyl-3-(pentylamino)benzoic acid
CID 43737202
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
CID 60940913
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
3-(heptylamino)-2-methylbenzamide
CID 43694125
2-chloro-N-methyl-5-(4-methylsulfanylbutylamino)benzamide
CID 103087825

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide?
The IUPAC name of N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide (CID 43734490) is N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide.
What is the SMILES notation for N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide?
The canonical SMILES for N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide is CNC(=O)c1cccc(NCCCSC)c1C.
What is the InChIKey of N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide?
The InChIKey is FWYXSXRIEPZVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-11(13(16)14-2)6-4-7-12(10)15-8-5-9-17-3/h4,6-7,15H,5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide?
N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(3-methylsulfanylpropylamino)benzamide is sourced from PubChem (CID 43734490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).