N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C22H29NO3S — CID 55551706

IUPACN-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)N(C)C(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H29NO3S/c1-16(2)14-18-6-8-19(9-7-18)15-22(24)23(4)17(3)20-10-12-21(13-11-20)27(5,25)26/h6-13,16-17H,14-15H2,1-5H3
InChIKeyYPHJCSWZGMOSTR-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.05
Rot. Bonds7

About N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 55551706) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID55551706
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC NameN-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)N(C)C(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H29NO3S/c1-16(2)14-18-6-8-19(9-7-18)15-22(24)23(4)17(3)20-10-12-21(13-11-20)27(5,25)26/h6-13,16-17H,14-15H2,1-5H3
InChIKeyYPHJCSWZGMOSTR-UHFFFAOYSA-N
XLogP4.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55551698
2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945810
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
3-[1-(4-ethylphenyl)ethyl]-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 119032263

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 55551706) is N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(C)Cc1ccc(CC(=O)N(C)C(C)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is YPHJCSWZGMOSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-16(2)14-18-6-8-19(9-7-18)15-22(24)23(4)17(3)20-10-12-21(13-11-20)27(5,25)26/h6-13,16-17H,14-15H2,1-5H3.
What are the key properties of N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 387.55 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 55551706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).