2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide

C19H24N2O3S2 — CID 2260812

IUPAC2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-14(2)20-19(22)13-21(16-7-5-15(3)6-8-16)26(23,24)18-11-9-17(25-4)10-12-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyUADNWURWSVDDCP-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.44
Rot. Bonds7

About 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide

2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 2260812) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
PubChem CID2260812
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-14(2)20-19(22)13-21(16-7-5-15(3)6-8-16)26(23,24)18-11-9-17(25-4)10-12-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyUADNWURWSVDDCP-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 99953318
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188189
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92683234
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43875390
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 126029990
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1118149
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30228198

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide (CID 2260812) is 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide is CSc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is UADNWURWSVDDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14(2)20-19(22)13-21(16-7-5-15(3)6-8-16)26(23,24)18-11-9-17(25-4)10-12-18/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 392.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 2260812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).