3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

C29H36N2O2S — CID 46055277

IUPAC3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccc(C(C)C)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C29H36N2O2S/c1-22(2)26-12-10-25(11-13-26)21-30-18-16-28(17-19-30)31(27-14-8-23(3)9-15-27)34(32,33)29-7-5-6-24(4)20-29/h5-15,20,22,28H,16-19,21H2,1-4H3
InChIKeyOXBWNGVEYYSLGB-UHFFFAOYSA-N
MW476.69 g/mol
LogP6.29
Rot. Bonds7

About 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 46055277) has the molecular formula C29H36N2O2S and a molecular weight of 476.69 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID46055277
Molecular FormulaC29H36N2O2S
Molecular Weight476.69 g/mol
Exact Mass476.25
IUPAC Name3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccc(C(C)C)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C29H36N2O2S/c1-22(2)26-12-10-25(11-13-26)21-30-18-16-28(17-19-30)31(27-14-8-23(3)9-15-27)34(32,33)29-7-5-6-24(4)20-29/h5-15,20,22,28H,16-19,21H2,1-4H3
InChIKeyOXBWNGVEYYSLGB-UHFFFAOYSA-N
XLogP6.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
CID 46055235
N-(4-fluorophenyl)-3-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055379
N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055393
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 46055237
4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 46055225
N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048468
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (CID 46055277) is 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is Cc1ccc(N(C2CCN(Cc3ccc(C(C)C)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is OXBWNGVEYYSLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2S/c1-22(2)26-12-10-25(11-13-26)21-30-18-16-28(17-19-30)31(27-14-8-23(3)9-15-27)34(32,33)29-7-5-6-24(4)20-29/h5-15,20,22,28H,16-19,21H2,1-4H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 476.69 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).