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

C20H26N2O3S2 — CID 30262952

IUPAC2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCC(C)c1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-16(2)18-11-7-8-12-19(18)22(27(3,24)25)15-20(23)21-13-14-26-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeySKNXUBSCTHMFAY-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.48
Rot. Bonds9

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

2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 30262952) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID30262952
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCC(C)c1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-16(2)18-11-7-8-12-19(18)22(27(3,24)25)15-20(23)21-13-14-26-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeySKNXUBSCTHMFAY-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51342626
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2261372
2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30219336
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30263555
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2281691
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4179982
N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30301142
N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 2283332
N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30263050
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30277429
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2222543

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide (CID 30262952) is 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide is CC(C)c1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is SKNXUBSCTHMFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-16(2)18-11-7-8-12-19(18)22(27(3,24)25)15-20(23)21-13-14-26-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,21,23).
What are the key properties of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide?
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 30262952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).