4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C23H29N3O2S — CID 55646908

IUPAC4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)c1
InChIInChI=1S/C23H29N3O2S/c1-16-5-6-17(2)21(15-16)29-20-9-7-19(8-10-20)24-22(27)18-11-13-26(14-12-18)23(28)25(3)4/h5-10,15,18H,11-14H2,1-4H3,(H,24,27)
InChIKeyLDCWUCZRYKTUFL-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.79
Rot. Bonds4

About 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55646908) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55646908
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)c1
InChIInChI=1S/C23H29N3O2S/c1-16-5-6-17(2)21(15-16)29-20-9-7-19(8-10-20)24-22(27)18-11-13-26(14-12-18)23(28)25(3)4/h5-10,15,18H,11-14H2,1-4H3,(H,24,27)
InChIKeyLDCWUCZRYKTUFL-UHFFFAOYSA-N
XLogP4.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
CID 7925847
1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353
4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 94858106
2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 7825723
1-N,1-N-dimethyl-4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)piperidine-1,4-dicarboxamide
CID 166252924
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 30840212
4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55787508
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114
4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55646908) is 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)c1.
What is the InChIKey of 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is LDCWUCZRYKTUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-16-5-6-17(2)21(15-16)29-20-9-7-19(8-10-20)24-22(27)18-11-13-26(14-12-18)23(28)25(3)4/h5-10,15,18H,11-14H2,1-4H3,(H,24,27).
What are the key properties of 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 411.57 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55646908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).