2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide

C20H26N2O3S2 — CID 30219336

IUPAC2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-3-17-10-7-8-13-19(17)22(27(2,24)25)16-20(23)21-14-9-15-26-18-11-5-4-6-12-18/h4-8,10-13H,3,9,14-16H2,1-2H3,(H,21,23)
InChIKeyLNGZRVPKFIDNEZ-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.31
Rot. Bonds10

About 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide

2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 30219336) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID30219336
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-3-17-10-7-8-13-19(17)22(27(2,24)25)16-20(23)21-14-9-15-26-18-11-5-4-6-12-18/h4-8,10-13H,3,9,14-16H2,1-2H3,(H,21,23)
InChIKeyLNGZRVPKFIDNEZ-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.31
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
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30222610
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 30262952
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30253967
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2261372
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217353
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30224877
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30219322
2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30219314
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30248258
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30219768

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide (CID 30219336) is 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide is CCc1ccccc1N(CC(=O)NCCCSc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is LNGZRVPKFIDNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-3-17-10-7-8-13-19(17)22(27(2,24)25)16-20(23)21-14-9-15-26-18-11-5-4-6-12-18/h4-8,10-13H,3,9,14-16H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 30219336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).