2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C27H30N2O4S — CID 43897273

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCc3cc(OC)ccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N2O4S/c1-3-20-12-14-22(15-13-20)29(34(31,32)24-9-5-4-6-10-24)19-27(30)28-26-11-7-8-21-18-23(33-2)16-17-25(21)26/h4-6,9-10,12-18,26H,3,7-8,11,19H2,1-2H3,(H,28,30)
InChIKeyCYNBETUUYBUFIN-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.65
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43897273) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID43897273
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCc3cc(OC)ccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N2O4S/c1-3-20-12-14-22(15-13-20)29(34(31,32)24-9-5-4-6-10-24)19-27(30)28-26-11-7-8-21-18-23(33-2)16-17-25(21)26/h4-6,9-10,12-18,26H,3,7-8,11,19H2,1-2H3,(H,28,30)
InChIKeyCYNBETUUYBUFIN-UHFFFAOYSA-N
XLogP4.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892716
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892808
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43893050
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92683840
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43901647
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229056
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30249986
2-(4-ethoxy-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895646
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92673967

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43897273) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CCc1ccc(N(CC(=O)NC2CCCc3cc(OC)ccc32)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is CYNBETUUYBUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-3-20-12-14-22(15-13-20)29(34(31,32)24-9-5-4-6-10-24)19-27(30)28-26-11-7-8-21-18-23(33-2)16-17-25(21)26/h4-6,9-10,12-18,26H,3,7-8,11,19H2,1-2H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 478.61 g/mol, XLogP of 4.65, 8 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43897273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).