N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

C21H26N2O3S — CID 102416693

IUPACN-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C)cc2)C1
InChIInChI=1S/C21H26N2O3S/c1-15-4-8-18(9-5-15)21-14-19(22-17(3)24)12-13-23(21)27(25,26)20-10-6-16(2)7-11-20/h4-11,19,21H,12-14H2,1-3H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyIRBWYUNSLGQXIU-FPOVZHCZSA-N
MW386.52 g/mol
LogP3.33
Rot. Bonds4

About N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 102416693) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID102416693
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C)cc2)C1
InChIInChI=1S/C21H26N2O3S/c1-15-4-8-18(9-5-15)21-14-19(22-17(3)24)12-13-23(21)27(25,26)20-10-6-16(2)7-11-20/h4-11,19,21H,12-14H2,1-3H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyIRBWYUNSLGQXIU-FPOVZHCZSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4S)-1-(4-methylphenyl)sulfonyl-2-pentylpiperidin-4-yl]acetamide
CID 102416695
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682679
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
methyl (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
CID 102306773
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 102416693) is N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C)cc2)C1.
What is the InChIKey of N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is IRBWYUNSLGQXIU-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-4-8-18(9-5-15)21-14-19(22-17(3)24)12-13-23(21)27(25,26)20-10-6-16(2)7-11-20/h4-11,19,21H,12-14H2,1-3H3,(H,22,24)/t19-,21-/m0/s1.
What are the key properties of N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 102416693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).