N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H23NO3S — CID 110771426

IUPACN-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)24(22,23)18-10-8-16(9-11-18)12-19(21)20-13-17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyLILJAGNVIXQZDJ-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.04
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 110771426) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID110771426
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)24(22,23)18-10-8-16(9-11-18)12-19(21)20-13-17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyLILJAGNVIXQZDJ-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
N-[(4-oxo-3-prop-2-ynylphthalazin-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121049017
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90583565
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
CID 55757965

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 110771426) is N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is Cc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is LILJAGNVIXQZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)24(22,23)18-10-8-16(9-11-18)12-19(21)20-13-17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).