2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide

C15H21ClN2O3S — CID 75427197

IUPAC2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CS(=O)C(C)c1ccccc1Cl)C(=O)N(C)C
InChIInChI=1S/C15H21ClN2O3S/c1-10(15(20)18(3)4)17-14(19)9-22(21)11(2)12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3,(H,17,19)
InChIKeyOOFKQARELNDUEU-UHFFFAOYSA-N
MW344.86 g/mol
LogP1.74
Rot. Bonds6

About 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide

2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 75427197) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide
PubChem CID75427197
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CS(=O)C(C)c1ccccc1Cl)C(=O)N(C)C
InChIInChI=1S/C15H21ClN2O3S/c1-10(15(20)18(3)4)17-14(19)9-22(21)11(2)12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3,(H,17,19)
InChIKeyOOFKQARELNDUEU-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675021
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 95503016
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide (CID 75427197) is 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide is CC(NC(=O)CS(=O)C(C)c1ccccc1Cl)C(=O)N(C)C.
What is the InChIKey of 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is OOFKQARELNDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-10(15(20)18(3)4)17-14(19)9-22(21)11(2)12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3,(H,17,19).
What are the key properties of 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide?
2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 344.86 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-chlorophenyl)ethylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 75427197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).