2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H26N2O3S — CID 11903231

IUPAC2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H26N2O3S/c1-15-7-5-8-16(2)22(15)24-21(26)14-28(27)13-20(25)23-19-12-6-10-17-9-3-4-11-18(17)19/h3-5,7-9,11,19H,6,10,12-14H2,1-2H3,(H,23,25)(H,24,26)/t19-,28+/m1/s1
InChIKeyHPYIOVGICBOHBE-GDJIYFAZSA-N
MW398.53 g/mol
LogP3.18
Rot. Bonds6

About 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 11903231) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID11903231
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H26N2O3S/c1-15-7-5-8-16(2)22(15)24-21(26)14-28(27)13-20(25)23-19-12-6-10-17-9-3-4-11-18(17)19/h3-5,7-9,11,19H,6,10,12-14H2,1-2H3,(H,23,25)(H,24,26)/t19-,28+/m1/s1
InChIKeyHPYIOVGICBOHBE-GDJIYFAZSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11903230
2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11903222
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890821
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063
3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2098951
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxy-3-methylbenzoate
CID 2578012
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 11903231) is 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is HPYIOVGICBOHBE-GDJIYFAZSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-15-7-5-8-16(2)22(15)24-21(26)14-28(27)13-20(25)23-19-12-6-10-17-9-3-4-11-18(17)19/h3-5,7-9,11,19H,6,10,12-14H2,1-2H3,(H,23,25)(H,24,26)/t19-,28+/m1/s1.
What are the key properties of 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 11903231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).