2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C21H26N2O2S — CID 2540868

IUPAC2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S/c1-15-8-10-17(11-9-15)14-22-21(25)19(12-13-26-3)23-20(24)18-7-5-4-6-16(18)2/h4-11,19H,12-14H2,1-3H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyDCILTDTYWNZQLW-LJQANCHMSA-N
MW370.52 g/mol
LogP3.47
Rot. Bonds8

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

2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 2540868) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID2540868
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S/c1-15-8-10-17(11-9-15)14-22-21(25)19(12-13-26-3)23-20(24)18-7-5-4-6-16(18)2/h4-11,19H,12-14H2,1-3H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyDCILTDTYWNZQLW-LJQANCHMSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2S)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 2540870
N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 8000374
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
CID 55693632
N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86970217
4-methoxy-N-[(2R)-1-[(2-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9104470
2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118306
2-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118307
2-methoxy-N-[4-methylsulfanyl-1-[(5-methylthiophen-2-yl)methylamino]-1-oxobutan-2-yl]benzamide
CID 55749351
2-bromo-N-[1-[(2-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 43001938
2-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]benzamide
CID 9267245
[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 55420256
2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide
CID 46461356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 2540868) is 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is DCILTDTYWNZQLW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-8-10-17(11-9-15)14-22-21(25)19(12-13-26-3)23-20(24)18-7-5-4-6-16(18)2/h4-11,19H,12-14H2,1-3H3,(H,22,25)(H,23,24)/t19-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 370.52 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2540868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).