2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C25H28N2O4S — CID 92684457

IUPAC2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-7-8-12-23(19)25(21-10-5-4-6-11-21)26-24(28)18-31-22-15-13-20(14-16-22)17-27(2)32(3,29)30/h4-16,25H,17-18H2,1-3H3,(H,26,28)/t25-/m1/s1
InChIKeyNRCOOFVNPQXQRR-RUZDIDTESA-N
MW452.58 g/mol
LogP3.67
Rot. Bonds9

About 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 92684457) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID92684457
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-7-8-12-23(19)25(21-10-5-4-6-11-21)26-24(28)18-31-22-15-13-20(14-16-22)17-27(2)32(3,29)30/h4-16,25H,17-18H2,1-3H3,(H,26,28)/t25-/m1/s1
InChIKeyNRCOOFVNPQXQRR-RUZDIDTESA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 38020716
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 99952985
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(3-methyl-1-phenylbutyl)acetamide
CID 132947658
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133164015
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125054386
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
2-(2-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632217
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 21173330
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401837

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 92684457) is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccccc1[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is NRCOOFVNPQXQRR-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-9-7-8-12-23(19)25(21-10-5-4-6-11-21)26-24(28)18-31-22-15-13-20(14-16-22)17-27(2)32(3,29)30/h4-16,25H,17-18H2,1-3H3,(H,26,28)/t25-/m1/s1.
What are the key properties of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 92684457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).