4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide

C18H20N2OS2 — CID 60601174

IUPAC4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1
InChIInChI=1S/C18H20N2OS2/c1-20(2)16-8-6-13(7-9-16)17(21)19-15-5-3-4-14(12-15)18-22-10-11-23-18/h3-9,12,18H,10-11H2,1-2H3,(H,19,21)
InChIKeyPCQBOAMDCPXKGB-UHFFFAOYSA-N
MW344.51 g/mol
LogP4.48
Rot. Bonds4

About 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide

4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide (PubChem CID 60601174) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
PubChem CID60601174
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC Name4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1
InChIInChI=1S/C18H20N2OS2/c1-20(2)16-8-6-13(7-9-16)17(21)19-15-5-3-4-14(12-15)18-22-10-11-23-18/h3-9,12,18H,10-11H2,1-2H3,(H,19,21)
InChIKeyPCQBOAMDCPXKGB-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[3-(1,3-dithian-2-yl)phenyl]benzamide
CID 27842666
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 27889138
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitrobenzamide
CID 27843009
4-(1,3-dithiolan-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 8761867
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 55622821
N-[3-(1,3-dithiolan-2-yl)phenyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71885645
4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide
CID 110743314
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 27889296
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127885
3-[3-(1,3-dithiolan-2-yl)phenyl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97253577
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
CID 27022341

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide (CID 60601174) is 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
The InChIKey is PCQBOAMDCPXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-20(2)16-8-6-13(7-9-16)17(21)19-15-5-3-4-14(12-15)18-22-10-11-23-18/h3-9,12,18H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide has a molecular weight of 344.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide is sourced from PubChem (CID 60601174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).