2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide

C18H21NO3S — CID 110771330

IUPAC2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)16-6-4-5-7-17(16)19-18(20)12-14-8-10-15(11-9-14)23(3,21)22/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyZAMMNYUWQPQHSB-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide

2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 110771330) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID110771330
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)16-6-4-5-7-17(16)19-18(20)12-14-8-10-15(11-9-14)23(3,21)22/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyZAMMNYUWQPQHSB-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110178593
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide
CID 2992103
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
4-(methylsulfonylmethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 9094036
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671847
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate
CID 2378757

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide (CID 110771330) is 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is ZAMMNYUWQPQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13(2)16-6-4-5-7-17(16)19-18(20)12-14-8-10-15(11-9-14)23(3,21)22/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 110771330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).