N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide

C13H20N2O3S2 — CID 95296945

IUPACN-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
SMILESCCSc1ccc([C@@H](C)NC(=O)CNS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S2/c1-4-19-12-7-5-11(6-8-12)10(2)15-13(16)9-14-20(3,17)18/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyDBWVAHOTVMNVKJ-SNVBAGLBSA-N
MW316.45 g/mol
LogP1.52
Rot. Bonds7

About N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide

N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide (PubChem CID 95296945) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
PubChem CID95296945
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
SMILESCCSc1ccc([C@@H](C)NC(=O)CNS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S2/c1-4-19-12-7-5-11(6-8-12)10(2)15-13(16)9-14-20(3,17)18/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyDBWVAHOTVMNVKJ-SNVBAGLBSA-N
XLogP1.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774161
2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
CID 119774122
N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide
CID 94671225
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 24840182
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 95317065
(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
CID 124683704
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576
N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438676

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide (CID 95296945) is N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide is CCSc1ccc([C@@H](C)NC(=O)CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide?
The InChIKey is DBWVAHOTVMNVKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-19-12-7-5-11(6-8-12)10(2)15-13(16)9-14-20(3,17)18/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide?
N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide has a molecular weight of 316.45 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 95296945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).