N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C26H35N3O2S — CID 42949423

IUPACN-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)NCc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C26H35N3O2S/c1-20-12-15-29(16-13-20)19-22-10-8-21(9-11-22)18-27-26(31)24(14-17-32-2)28-25(30)23-6-4-3-5-7-23/h3-11,20,24H,12-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyGCUGCYMHJPNDPX-UHFFFAOYSA-N
MW453.65 g/mol
LogP4.09
Rot. Bonds10

About N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 42949423) has the molecular formula C26H35N3O2S and a molecular weight of 453.65 g/mol. Its IUPAC name is N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID42949423
Molecular FormulaC26H35N3O2S
Molecular Weight453.65 g/mol
Exact Mass453.24
IUPAC NameN-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)NCc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C26H35N3O2S/c1-20-12-15-29(16-13-20)19-22-10-8-21(9-11-22)18-27-26(31)24(14-17-32-2)28-25(30)23-6-4-3-5-7-23/h3-11,20,24H,12-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyGCUGCYMHJPNDPX-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.65
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[1-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 55845552
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
N-[1-(3-aminobutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 119496086
cis-(1R,3S)-3-[(2-benzamido-4-methylsulfanylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 120677298
N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42910422
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
2-chloro-N-[3-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxobutan-2-yl]benzamide
CID 55567492
N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 7971393
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841
2-(2-cyanophenoxy)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46597383

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 42949423) is N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1)C(=O)NCc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GCUGCYMHJPNDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2S/c1-20-12-15-29(16-13-20)19-22-10-8-21(9-11-22)18-27-26(31)24(14-17-32-2)28-25(30)23-6-4-3-5-7-23/h3-11,20,24H,12-19H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 453.65 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42949423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).