ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide

C24H36N2O4S — CID 143073943

IUPACethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide
SMILESCC.CCC(=O)NCCO.Cc1c(O)cccc1C(=O)N[C@H](C)CSc1ccccc1
InChIInChI=1S/C17H19NO2S.C5H11NO2.C2H6/c1-12(11-21-14-7-4-3-5-8-14)18-17(20)15-9-6-10-16(19)13(15)2;1-2-5(8)6-3-4-7;1-2/h3-10,12,19H,11H2,1-2H3,(H,18,20);7H,2-4H2,1H3,(H,6,8);1-2H3/t12-;;/m1../s1
InChIKeyJAXUMKGJSALLKC-CURYUGHLSA-N
MW448.63 g/mol
LogP4.14
Rot. Bonds8

About ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide

ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide (PubChem CID 143073943) has the molecular formula C24H36N2O4S and a molecular weight of 448.63 g/mol. Its IUPAC name is ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide.

Molecular Properties

Compound Nameethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide
PubChem CID143073943
Molecular FormulaC24H36N2O4S
Molecular Weight448.63 g/mol
Exact Mass448.24
IUPAC Nameethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide
SMILESCC.CCC(=O)NCCO.Cc1c(O)cccc1C(=O)N[C@H](C)CSc1ccccc1
InChIInChI=1S/C17H19NO2S.C5H11NO2.C2H6/c1-12(11-21-14-7-4-3-5-8-14)18-17(20)15-9-6-10-16(19)13(15)2;1-2-5(8)6-3-4-7;1-2/h3-10,12,19H,11H2,1-2H3,(H,18,20);7H,2-4H2,1H3,(H,6,8);1-2H3/t12-;;/m1../s1
InChIKeyJAXUMKGJSALLKC-CURYUGHLSA-N
XLogP4.14
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide with MolForge

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Related Compounds

(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-phenylsulfanylpropanoyl iodide
CID 143073945
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
3-hydroxy-2-methyl-N-[(2R)-1-oxo-1-(2-oxopropylamino)-3-phenylsulfanylpropan-2-yl]benzamide
CID 143073915
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxy-1-phenylsulfanylbutan-2-yl]-3-hydroxy-2-methylbenzamide
CID 143176799
3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(N-(2-hydroxyethylamino)anilino)-1-oxobutan-2-yl]-2-methylbenzamide
CID 11269207
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
(3R,4aS,8aS)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid
CID 101424805

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide?
The IUPAC name of ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide (CID 143073943) is ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide.
What is the SMILES notation for ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide?
The canonical SMILES for ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide is CC.CCC(=O)NCCO.Cc1c(O)cccc1C(=O)N[C@H](C)CSc1ccccc1.
What is the InChIKey of ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide?
The InChIKey is JAXUMKGJSALLKC-CURYUGHLSA-N. The full InChI is InChI=1S/C17H19NO2S.C5H11NO2.C2H6/c1-12(11-21-14-7-4-3-5-8-14)18-17(20)15-9-6-10-16(19)13(15)2;1-2-5(8)6-3-4-7;1-2/h3-10,12,19H,11H2,1-2H3,(H,18,20);7H,2-4H2,1H3,(H,6,8);1-2H3/t12-;;/m1../s1.
What are the key properties of ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide?
ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide has a molecular weight of 448.63 g/mol, XLogP of 4.14, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-hydroxyethyl)propanamide;3-hydroxy-2-methyl-N-[(2R)-1-phenylsulfanylpropan-2-yl]benzamide is sourced from PubChem (CID 143073943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).