2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H24N2O3S — CID 52537482

IUPAC2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCS(=O)(=O)Cc1ccccc1NCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)14-16-8-3-5-11-18(16)21-13-20(23)22-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19,21H,6,9,12-14H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyQLRBYFWKOYGLIK-IBGZPJMESA-N
MW372.49 g/mol
LogP2.84
Rot. Bonds6

About 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 52537482) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID52537482
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCS(=O)(=O)Cc1ccccc1NCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)14-16-8-3-5-11-18(16)21-13-20(23)22-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19,21H,6,9,12-14H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyQLRBYFWKOYGLIK-IBGZPJMESA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-5-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 47018416
2-(2-chloro-4,5-dimethoxyanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42893836
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
2-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51132756
2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25467388
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-(methylsulfonylmethyl)benzoate
CID 46825843
2-[[(1R)-1-phenylethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898719
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,2-diphenylacetamide
CID 143477934
2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 52537482) is 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CS(=O)(=O)Cc1ccccc1NCC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is QLRBYFWKOYGLIK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-26(24,25)14-16-8-3-5-11-18(16)21-13-20(23)22-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19,21H,6,9,12-14H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 52537482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).