2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C20H26N2O3S — CID 51343111

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)17-6-8-18(9-7-17)21-20(23)13-22(26(5,24)25)19-11-15(3)10-16(4)12-19/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyVPFCXWTXPKUZGK-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.83
Rot. Bonds6

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 51343111) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID51343111
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)17-6-8-18(9-7-17)21-20(23)13-22(26(5,24)25)19-11-15(3)10-16(4)12-19/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyVPFCXWTXPKUZGK-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028
methyl 4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153979
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 126393608
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
CID 30168762
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
ethyl 2-chloro-5-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 99952351

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 51343111) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is Cc1cc(C)cc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is VPFCXWTXPKUZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)17-6-8-18(9-7-17)21-20(23)13-22(26(5,24)25)19-11-15(3)10-16(4)12-19/h6-12,14H,13H2,1-5H3,(H,21,23).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 51343111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).