N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide

C18H22N2O4S — CID 112998959

IUPACN-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-14-8-9-17(24-2)16(12-14)20-18(21)13-19-25(22,23)11-10-15-6-4-3-5-7-15/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyMKNKXEUULSCLIX-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.10
Rot. Bonds8

About N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide

N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide (PubChem CID 112998959) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
PubChem CID112998959
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-14-8-9-17(24-2)16(12-14)20-18(21)13-19-25(22,23)11-10-15-6-4-3-5-7-15/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyMKNKXEUULSCLIX-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112996509
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112998937
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
3-benzylsulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 8797304
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate
CID 124622715
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide (CID 112998959) is N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide is COc1ccc(C)cc1NC(=O)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
The InChIKey is MKNKXEUULSCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-8-9-17(24-2)16(12-14)20-18(21)13-19-25(22,23)11-10-15-6-4-3-5-7-15/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide is sourced from PubChem (CID 112998959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).