2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C20H26N2O3S — CID 22304432

IUPAC2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCc1c(NCC(=O)Nc2ccc(C(C)C)cc2)cccc1S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-17-18(7-6-8-19(17)26(4,24)25)21-13-20(23)22-16-11-9-15(10-12-16)14(2)3/h6-12,14,21H,5,13H2,1-4H3,(H,22,23)
InChIKeyXZUMQSJYVXRWFD-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.83
Rot. Bonds7

About 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 22304432) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID22304432
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCc1c(NCC(=O)Nc2ccc(C(C)C)cc2)cccc1S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-17-18(7-6-8-19(17)26(4,24)25)21-13-20(23)22-16-11-9-15(10-12-16)14(2)3/h6-12,14,21H,5,13H2,1-4H3,(H,22,23)
InChIKeyXZUMQSJYVXRWFD-UHFFFAOYSA-N
XLogP3.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22304436
2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22307564
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 87028988
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036840
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55897440

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 22304432) is 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CCc1c(NCC(=O)Nc2ccc(C(C)C)cc2)cccc1S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XZUMQSJYVXRWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-17-18(7-6-8-19(17)26(4,24)25)21-13-20(23)22-16-11-9-15(10-12-16)14(2)3/h6-12,14,21H,5,13H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 22304432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).