N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide

C24H30ClN3O2S — CID 24818289

IUPACN-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H30ClN3O2S/c1-31-16-13-22(27-23(29)20-9-5-6-10-21(20)25)24(30)26-19-11-14-28(15-12-19)17-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyUHSYHNDWGPBXAP-UHFFFAOYSA-N
MW460.04 g/mol
LogP3.97
Rot. Bonds9

About N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide

N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide (PubChem CID 24818289) has the molecular formula C24H30ClN3O2S and a molecular weight of 460.04 g/mol. Its IUPAC name is N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
PubChem CID24818289
Molecular FormulaC24H30ClN3O2S
Molecular Weight460.04 g/mol
Exact Mass459.17
IUPAC NameN-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H30ClN3O2S/c1-31-16-13-22(27-23(29)20-9-5-6-10-21(20)25)24(30)26-19-11-14-28(15-12-19)17-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyUHSYHNDWGPBXAP-UHFFFAOYSA-N
XLogP3.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.04
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2548547
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CID 1069892
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CID 11704260
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CID 2805621
CID 2805621
CID 23634890
CID 23634890
CID 4879329
CID 4879329
CID 4882563
CID 4882563
CID 4963699
CID 4963699
CID 18135825
CID 18135825
CID 24818329
CID 24818329
CID 4341864
CID 4341864
CID 24758044
CID 24758044

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide (CID 24818289) is N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide is CSCCC(NC(=O)c1ccccc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide?
The InChIKey is UHSYHNDWGPBXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2S/c1-31-16-13-22(27-23(29)20-9-5-6-10-21(20)25)24(30)26-19-11-14-28(15-12-19)17-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide?
N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide has a molecular weight of 460.04 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 24818289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).