2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide

C26H30N2O4S — CID 30229496

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-3-21-14-16-23(17-15-21)28(33(30,31)25-12-5-4-6-13-25)20-26(29)27-18-8-10-22-9-7-11-24(19-22)32-2/h4-7,9,11-17,19H,3,8,10,18,20H2,1-2H3,(H,27,29)
InChIKeyGJXMITTVEHRXGI-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.20
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 30229496) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID30229496
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCCc2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-3-21-14-16-23(17-15-21)28(33(30,31)25-12-5-4-6-13-25)20-26(29)27-18-8-10-22-9-7-11-24(19-22)32-2/h4-7,9,11-17,19H,3,8,10,18,20H2,1-2H3,(H,27,29)
InChIKeyGJXMITTVEHRXGI-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.20
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-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30176126
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-[N-(benzenesulfonyl)anilino]-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30174041
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30204003
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30250363
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30277462
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 43897803
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30210281
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546
(2S)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100607860

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 30229496) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide is CCc1ccc(N(CC(=O)NCCCc2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is GJXMITTVEHRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-3-21-14-16-23(17-15-21)28(33(30,31)25-12-5-4-6-13-25)20-26(29)27-18-8-10-22-9-7-11-24(19-22)32-2/h4-7,9,11-17,19H,3,8,10,18,20H2,1-2H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30229496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).