N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C22H26N2O2S — CID 4256449

IUPACN-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(C)CC2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C22H26N2O2S/c1-15-4-7-19(8-5-15)27-21-9-6-18(14-20(21)23-17(3)25)22(26)24-12-10-16(2)11-13-24/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)
InChIKeyCMZSHKASTCRCOK-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.98
Rot. Bonds4

About N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 4256449) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID4256449
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(C)CC2)ccc1Sc1ccc(C)cc1
InChIInChI=1S/C22H26N2O2S/c1-15-4-7-19(8-5-15)27-21-9-6-18(14-20(21)23-17(3)25)22(26)24-12-10-16(2)11-13-24/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)
InChIKeyCMZSHKASTCRCOK-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-methylphenyl)sulfanylphenyl]acetamide
CID 4306358
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
N-[5-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 20968001
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 3444820
3-acetamido-4-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
CID 4304118
1-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]-N-phenylpiperidine-4-carboxamide
CID 26462515
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044952
1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid
CID 119166168
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
3-acetamido-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 20968061

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 4256449) is N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC(C)CC2)ccc1Sc1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is CMZSHKASTCRCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-15-4-7-19(8-5-15)27-21-9-6-18(14-20(21)23-17(3)25)22(26)24-12-10-16(2)11-13-24/h4-9,14,16H,10-13H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanyl-5-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4256449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).