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

C23H30N2O3S — CID 55964244

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccccc3S(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C23H30N2O3S/c1-17(2)29(27,28)22-10-5-4-9-21(22)23(26)24-20-11-13-25(14-12-20)16-19-8-6-7-18(3)15-19/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyWIEDOFHZCRMHGE-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.57
Rot. Bonds6

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

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide (PubChem CID 55964244) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
PubChem CID55964244
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccccc3S(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C23H30N2O3S/c1-17(2)29(27,28)22-10-5-4-9-21(22)23(26)24-20-11-13-25(14-12-20)16-19-8-6-7-18(3)15-19/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyWIEDOFHZCRMHGE-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 124844447
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
1-[(2R)-2-methoxypropyl]-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 100660209
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide (CID 55964244) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide is Cc1cccc(CN2CCC(NC(=O)c3ccccc3S(=O)(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide?
The InChIKey is WIEDOFHZCRMHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17(2)29(27,28)22-10-5-4-9-21(22)23(26)24-20-11-13-25(14-12-20)16-19-8-6-7-18(3)15-19/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide has a molecular weight of 414.57 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55964244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).