2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide

C17H18ClNO2S — CID 95770774

IUPAC2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide
SMILESCc1c(C[S@@](C)=O)cccc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2S/c1-12-14(11-22(2)21)6-4-8-16(12)19-17(20)10-13-5-3-7-15(18)9-13/h3-9H,10-11H2,1-2H3,(H,19,20)/t22-/m1/s1
InChIKeyPPHUCIINSLDBTD-JOCHJYFZSA-N
MW335.86 g/mol
LogP3.71
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide

2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide (PubChem CID 95770774) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide
PubChem CID95770774
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide
SMILESCc1c(C[S@@](C)=O)cccc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2S/c1-12-14(11-22(2)21)6-4-8-16(12)19-17(20)10-13-5-3-7-15(18)9-13/h3-9H,10-11H2,1-2H3,(H,19,20)/t22-/m1/s1
InChIKeyPPHUCIINSLDBTD-JOCHJYFZSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 122133355
2-(3-chlorophenyl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 62505669
2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
CID 95629146
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide
CID 119790095
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274
2-(3-chlorophenyl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 62504278
2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide
CID 95770743
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(3-chlorophenyl)acetamide
CID 22618247
N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide
CID 86995475

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide (CID 95770774) is 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide is Cc1c(C[S@@](C)=O)cccc1NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide?
The InChIKey is PPHUCIINSLDBTD-JOCHJYFZSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-12-14(11-22(2)21)6-4-8-16(12)19-17(20)10-13-5-3-7-15(18)9-13/h3-9H,10-11H2,1-2H3,(H,19,20)/t22-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide?
2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide is sourced from PubChem (CID 95770774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).