N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide

C15H21NO4S2 — CID 95324097

IUPACN-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide
SMILESC[C@@H](CS(C)(=O)=O)N(C)C(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C15H21NO4S2/c1-12(11-22(3,19)20)16(2)15(18)10-21-9-14(17)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyLUOSRLKJMHTKHI-LBPRGKRZSA-N
MW343.47 g/mol
LogP1.49
Rot. Bonds8

About N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide

N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide (PubChem CID 95324097) has the molecular formula C15H21NO4S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide
PubChem CID95324097
Molecular FormulaC15H21NO4S2
Molecular Weight343.47 g/mol
Exact Mass343.09
IUPAC NameN-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide
SMILESC[C@@H](CS(C)(=O)=O)N(C)C(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C15H21NO4S2/c1-12(11-22(3,19)20)16(2)15(18)10-21-9-14(17)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyLUOSRLKJMHTKHI-LBPRGKRZSA-N
XLogP1.49
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
CID 119582126
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
CID 102560406
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 102560405
2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119206349
2-ethylsulfanyl-1-phenylethanone
CID 2776060
2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
CID 59233390
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424
1-[methyl-(2-phenacylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539343
2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
CID 95171532
N-(3-aminobutyl)-2-phenacylsulfanylacetamide;hydrochloride
CID 119495825
(2-phenacylsulfanylacetyl) 2-phenacylsulfanylacetate
CID 71371728
3-phenacylsulfanylpropyl methanesulfonate
CID 90222659

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide?
The IUPAC name of N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide (CID 95324097) is N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide?
The canonical SMILES for N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide is C[C@@H](CS(C)(=O)=O)N(C)C(=O)CSCC(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide?
The InChIKey is LUOSRLKJMHTKHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO4S2/c1-12(11-22(3,19)20)16(2)15(18)10-21-9-14(17)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide?
N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide has a molecular weight of 343.47 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide is sourced from PubChem (CID 95324097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).