4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide

C15H24N2OS2 — CID 169409429

IUPAC4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide
SMILESCC(C)SCN(CSC(C)C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H24N2OS2/c1-11(2)19-9-17(10-20-12(3)4)14-7-5-13(6-8-14)15(16)18/h5-8,11-12H,9-10H2,1-4H3,(H2,16,18)
InChIKeyCSKXEXVRUOFXAN-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.79
Rot. Bonds8

About 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide

4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide (PubChem CID 169409429) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide
PubChem CID169409429
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide
SMILESCC(C)SCN(CSC(C)C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H24N2OS2/c1-11(2)19-9-17(10-20-12(3)4)14-7-5-13(6-8-14)15(16)18/h5-8,11-12H,9-10H2,1-4H3,(H2,16,18)
InChIKeyCSKXEXVRUOFXAN-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[bis(hexylsulfanylmethyl)amino]benzamide
CID 172994231
3-[4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]-2-methylpropanoic acid
CID 82319869
1-[4-(dimethylamino)phenyl]-2-propan-2-ylsulfanylethanone
CID 58668117
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
4-(1-hydroxyethyl)benzamide
CID 22716490
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-(2-fluoropropylsulfanyl)benzamide
CID 155718332
4-(3-methylpentan-2-yl)benzamide
CID 126657369
4-(N-tetradecoxyanilino)benzamide
CID 174322917
[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514955

Frequently Asked Questions

What is the IUPAC name of 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide?
The IUPAC name of 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide (CID 169409429) is 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide.
What is the SMILES notation for 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide?
The canonical SMILES for 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide is CC(C)SCN(CSC(C)C)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide?
The InChIKey is CSKXEXVRUOFXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2/c1-11(2)19-9-17(10-20-12(3)4)14-7-5-13(6-8-14)15(16)18/h5-8,11-12H,9-10H2,1-4H3,(H2,16,18).
What are the key properties of 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide?
4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide has a molecular weight of 312.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(propan-2-ylsulfanylmethyl)amino]benzamide is sourced from PubChem (CID 169409429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).