N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide

C19H24N2O4S — CID 31266867

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CNc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C19H24N2O4S/c1-13-9-10-15(26(4,23)24)11-17(13)20-12-19(22)21-14(2)16-7-5-6-8-18(16)25-3/h5-11,14,20H,12H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeySVICYIFJPSSGMR-CQSZACIVSA-N
MW376.48 g/mol
LogP2.70
Rot. Bonds7

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide (PubChem CID 31266867) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
PubChem CID31266867
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CNc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C19H24N2O4S/c1-13-9-10-15(26(4,23)24)11-17(13)20-12-19(22)21-14(2)16-7-5-6-8-18(16)25-3/h5-11,14,20H,12H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeySVICYIFJPSSGMR-CQSZACIVSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55409476
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553351
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide
CID 25353073
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133160554
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873667
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553191
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100619306

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide (CID 31266867) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide is COc1ccccc1[C@@H](C)NC(=O)CNc1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
The InChIKey is SVICYIFJPSSGMR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-9-10-15(26(4,23)24)11-17(13)20-12-19(22)21-14(2)16-7-5-6-8-18(16)25-3/h5-11,14,20H,12H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide is sourced from PubChem (CID 31266867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).