N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide

C20H24N2O2S — CID 144581870

IUPACN-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)N3CCCCC3)c2)cc1C
InChIInChI=1S/C20H24N2O2S/c1-15-9-10-18(13-16(15)2)21-20(23)17-7-6-8-19(14-17)25(24)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyPDWZQFDJLTXTPB-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.06
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide

N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide (PubChem CID 144581870) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide
PubChem CID144581870
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)N3CCCCC3)c2)cc1C
InChIInChI=1S/C20H24N2O2S/c1-15-9-10-18(13-16(15)2)21-20(23)17-7-6-8-19(14-17)25(24)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyPDWZQFDJLTXTPB-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-ylsulfinyl)-N-(1,3-benzodioxol-5-yl)benzamide
CID 71028777
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 22291087
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887
N-[3-[(3,4-dimethylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326445
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide (CID 144581870) is N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide is Cc1ccc(NC(=O)c2cccc(S(=O)N3CCCCC3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide?
The InChIKey is PDWZQFDJLTXTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-9-10-18(13-16(15)2)21-20(23)17-7-6-8-19(14-17)25(24)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide?
N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide is sourced from PubChem (CID 144581870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).