(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide

C17H18F2N2O3S — CID 97060573

IUPAC(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCN(C)[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-21(2)16(15-13(18)5-4-6-14(15)19)17(22)20-11-7-9-12(10-8-11)25(3,23)24/h4-10,16H,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyOUKHGYDEUBGLRX-INIZCTEOSA-N
MW368.41 g/mol
LogP2.61
Rot. Bonds5

About (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide

(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 97060573) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID97060573
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCN(C)[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-21(2)16(15-13(18)5-4-6-14(15)19)17(22)20-11-7-9-12(10-8-11)25(3,23)24/h4-10,16H,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyOUKHGYDEUBGLRX-INIZCTEOSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-ethoxyphenyl)acetamide
CID 97101214
(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide
CID 97249858
4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 71874582
1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)urea
CID 19967425
2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 115678157
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
2-methoxy-N-(4-methylsulfonylphenyl)propanamide
CID 47300837
(2R)-2-amino-N-(4-methylsulfonylphenyl)-2-phenylacetamide
CID 61148899
(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
CID 67615409
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(4-methylsulfonylphenyl)acetamide
CID 90605928
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 7744756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide (CID 97060573) is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide is CN(C)[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1F.
What is the InChIKey of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is OUKHGYDEUBGLRX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-21(2)16(15-13(18)5-4-6-14(15)19)17(22)20-11-7-9-12(10-8-11)25(3,23)24/h4-10,16H,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide?
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 97060573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).