N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide

C22H28N2OS — CID 132655322

IUPACN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2OS/c1-16-12-14-24(15-13-16)19-10-8-18(9-11-19)17(2)23-22(25)20-6-4-5-7-21(20)26-3/h4-11,16-17H,12-15H2,1-3H3,(H,23,25)
InChIKeyVMGQXNVQXBCNEO-UHFFFAOYSA-N
MW368.55 g/mol
LogP5.14
Rot. Bonds5

About N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide

N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide (PubChem CID 132655322) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
PubChem CID132655322
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H28N2OS/c1-16-12-14-24(15-13-16)19-10-8-18(9-11-19)17(2)23-22(25)20-6-4-5-7-21(20)26-3/h4-11,16-17H,12-15H2,1-3H3,(H,23,25)
InChIKeyVMGQXNVQXBCNEO-UHFFFAOYSA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132673259
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660324
2-chloro-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 110244400
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100614102
(E)-3-(2-chlorophenyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 99996071
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
1-[(2-methylphenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013633

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide (CID 132655322) is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide?
The InChIKey is VMGQXNVQXBCNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-16-12-14-24(15-13-16)19-10-8-18(9-11-19)17(2)23-22(25)20-6-4-5-7-21(20)26-3/h4-11,16-17H,12-15H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide?
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide has a molecular weight of 368.55 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 132655322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).