N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide

C19H24N2O3S — CID 30257850

IUPACN-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
SMILESCc1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-14(2)16-10-6-8-12-18(16)21(25(4,23)24)13-19(22)20-17-11-7-5-9-15(17)3/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyFEIYZQPEQZGZPA-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.52
Rot. Bonds6

About N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide

N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide (PubChem CID 30257850) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
PubChem CID30257850
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
SMILESCc1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-14(2)16-10-6-8-12-18(16)21(25(4,23)24)13-19(22)20-17-11-7-5-9-15(17)3/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyFEIYZQPEQZGZPA-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30258400
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30268575
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
CID 43899854
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30276109
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 2111548

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide (CID 30257850) is N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide is Cc1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The InChIKey is FEIYZQPEQZGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)16-10-6-8-12-18(16)21(25(4,23)24)13-19(22)20-17-11-7-5-9-15(17)3/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 30257850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).