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

C26H28N2O5S — CID 43892483

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCc3cc(OC)ccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-32-21-13-11-20(12-14-21)28(34(30,31)23-8-4-3-5-9-23)18-26(29)27-25-10-6-7-19-17-22(33-2)15-16-24(19)25/h3-5,8-9,11-17,25H,6-7,10,18H2,1-2H3,(H,27,29)
InChIKeyQRPBMQGZSZNMPY-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.09
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43892483) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID43892483
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCc3cc(OC)ccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-32-21-13-11-20(12-14-21)28(34(30,31)23-8-4-3-5-9-23)18-26(29)27-25-10-6-7-19-17-22(33-2)15-16-24(19)25/h3-5,8-9,11-17,25H,6-7,10,18H2,1-2H3,(H,27,29)
InChIKeyQRPBMQGZSZNMPY-UHFFFAOYSA-N
XLogP4.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43897273
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892716
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892808
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-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43893050
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
2-(4-ethoxy-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895646
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548010

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43892483) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccc(N(CC(=O)NC2CCCc3cc(OC)ccc32)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is QRPBMQGZSZNMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-32-21-13-11-20(12-14-21)28(34(30,31)23-8-4-3-5-9-23)18-26(29)27-25-10-6-7-19-17-22(33-2)15-16-24(19)25/h3-5,8-9,11-17,25H,6-7,10,18H2,1-2H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 480.59 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43892483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).