N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide

C14H20N2O2S — CID 9470598

IUPACN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H20N2O2S/c1-4-15-13(17)10(2)16-14(18)12-7-5-6-11(8-12)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyWDDTVZLAJPCIIH-JTQLQIEISA-N
MW280.39 g/mol
LogP1.80
Rot. Bonds6

About N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide (PubChem CID 9470598) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide
PubChem CID9470598
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H20N2O2S/c1-4-15-13(17)10(2)16-14(18)12-7-5-6-11(8-12)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyWDDTVZLAJPCIIH-JTQLQIEISA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
(2R)-3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 80749917
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
(2S)-2-[[3-(methylsulfanylmethyl)benzoyl]amino]hexanoic acid
CID 107144300
N-(1-hydroxy-4-methylpentan-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 103782460
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
CID 115703473
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide (CID 9470598) is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide is CCNC(=O)[C@H](C)NC(=O)c1cccc(CSC)c1.
What is the InChIKey of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide?
The InChIKey is WDDTVZLAJPCIIH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-15-13(17)10(2)16-14(18)12-7-5-6-11(8-12)9-19-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide?
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide has a molecular weight of 280.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9470598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).