2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C14H20N2O2S — CID 39964497

IUPAC2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccccc1SC
InChIInChI=1S/C14H20N2O2S/c1-4-9-15-13(17)10(2)16-14(18)11-7-5-6-8-12(11)19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeyZWRRJPCSTYMHON-SNVBAGLBSA-N
MW280.39 g/mol
LogP2.05
Rot. Bonds6

About 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 39964497) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID39964497
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccccc1SC
InChIInChI=1S/C14H20N2O2S/c1-4-9-15-13(17)10(2)16-14(18)11-7-5-6-8-12(11)19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeyZWRRJPCSTYMHON-SNVBAGLBSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 51121045
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
2-(2-methylsulfanylphenyl)-N-propylacetamide
CID 110485576
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
CID 114299364
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylsulfanylbenzamide
CID 79206171

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 39964497) is 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@@H](C)NC(=O)c1ccccc1SC.
What is the InChIKey of 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is ZWRRJPCSTYMHON-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-9-15-13(17)10(2)16-14(18)11-7-5-6-8-12(11)19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 280.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 39964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).