2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide

C20H26N2O3S — CID 113150711

IUPAC2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cccc(CN(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15(2)18-8-10-19(11-9-18)21-20(23)14-22(26(4,24)25)13-17-7-5-6-16(3)12-17/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyWPOAYZTYPAPUMI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.52
Rot. Bonds7

About 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113150711) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113150711
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cccc(CN(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15(2)18-8-10-19(11-9-18)21-20(23)14-22(26(4,24)25)13-17-7-5-6-16(3)12-17/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyWPOAYZTYPAPUMI-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150734
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151198
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
4-[[2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126069872
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
N-(3,5-dichlorophenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069194

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 113150711) is 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide is Cc1cccc(CN(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WPOAYZTYPAPUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)18-8-10-19(11-9-18)21-20(23)14-22(26(4,24)25)13-17-7-5-6-16(3)12-17/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113150711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).