4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide

C13H20N2OS — CID 107748130

IUPAC4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide
SMILESCNC(=O)c1ccc(N)cc1SCCC(C)C
InChIInChI=1S/C13H20N2OS/c1-9(2)6-7-17-12-8-10(14)4-5-11(12)13(16)15-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyDXJBSTOHSMMMEM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.77
Rot. Bonds5

About 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide

4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide (PubChem CID 107748130) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide
PubChem CID107748130
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide
SMILESCNC(=O)c1ccc(N)cc1SCCC(C)C
InChIInChI=1S/C13H20N2OS/c1-9(2)6-7-17-12-8-10(14)4-5-11(12)13(16)15-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyDXJBSTOHSMMMEM-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-2-(4-methylsulfanylbutan-2-ylamino)benzamide
CID 113476993
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630405
3-fluoro-4-(3-methylbutylsulfanyl)aniline
CID 43303733
4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
CID 82946067
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536
4-amino-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
CID 115382787
4-amino-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzamide
CID 106155092
4-amino-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-methylbenzamide
CID 79248207
4-methoxy-2-(3-methylbutylsulfanyl)benzoic acid
CID 107758014
3-(5-amino-2-methylphenyl)sulfanyl-N-methylpropanamide
CID 79140974
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide?
The IUPAC name of 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide (CID 107748130) is 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide is CNC(=O)c1ccc(N)cc1SCCC(C)C.
What is the InChIKey of 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide?
The InChIKey is DXJBSTOHSMMMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)6-7-17-12-8-10(14)4-5-11(12)13(16)15-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide?
4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide is sourced from PubChem (CID 107748130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).