2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide

C21H28N2O4S — CID 30271635

IUPAC2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
SMILESCCOc1cccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O4S/c1-4-27-20-12-6-11-19(15-20)23(28(3,25)26)16-21(24)22-13-7-10-18-9-5-8-17(2)14-18/h5-6,8-9,11-12,14-15H,4,7,10,13,16H2,1-3H3,(H,22,24)
InChIKeyIECXZYGEYCYMHF-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.91
Rot. Bonds10

About 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide (PubChem CID 30271635) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
PubChem CID30271635
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
SMILESCCOc1cccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O4S/c1-4-27-20-12-6-11-19(15-20)23(28(3,25)26)16-21(24)22-13-7-10-18-9-5-8-17(2)14-18/h5-6,8-9,11-12,14-15H,4,7,10,13,16H2,1-3H3,(H,22,24)
InChIKeyIECXZYGEYCYMHF-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.91
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-(3-ethoxy-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30301137
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30218429
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392
N-[3-(3-methoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 30230411
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30266562
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30253885

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide (CID 30271635) is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide is CCOc1cccc(N(CC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
The InChIKey is IECXZYGEYCYMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-27-20-12-6-11-19(15-20)23(28(3,25)26)16-21(24)22-13-7-10-18-9-5-8-17(2)14-18/h5-6,8-9,11-12,14-15H,4,7,10,13,16H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 30271635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).