2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

C21H28N2O6S2 — CID 43901752

IUPAC2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCOc1cccc(N(CC(=O)NC(CC)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O6S2/c1-5-20(16-10-12-19(13-11-16)30(3,25)26)22-21(24)15-23(31(4,27)28)17-8-7-9-18(14-17)29-6-2/h7-14,20H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyYZAJJPLMMLFRJK-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.52
Rot. Bonds10

About 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (PubChem CID 43901752) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
PubChem CID43901752
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCOc1cccc(N(CC(=O)NC(CC)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O6S2/c1-5-20(16-10-12-19(13-11-16)30(3,25)26)22-21(24)15-23(31(4,27)28)17-8-7-9-18(14-17)29-6-2/h7-14,20H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyYZAJJPLMMLFRJK-UHFFFAOYSA-N
XLogP2.52
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30303519
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895447
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43892569
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28631718
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895541
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681523
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
N-[1-(4-methoxyphenyl)propyl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 132666977
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (CID 43901752) is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is CCOc1cccc(N(CC(=O)NC(CC)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The InChIKey is YZAJJPLMMLFRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-5-20(16-10-12-19(13-11-16)30(3,25)26)22-21(24)15-23(31(4,27)28)17-8-7-9-18(14-17)29-6-2/h7-14,20H,5-6,15H2,1-4H3,(H,22,24).
What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 43901752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).