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

C22H26N2O3S — CID 11903222

IUPAC2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1C
InChIInChI=1S/C22H26N2O3S/c1-15-10-11-18(12-16(15)2)23-21(25)13-28(27)14-22(26)24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,25)(H,24,26)/t20-,28-/m0/s1
InChIKeyUXQACMBKNRIFNA-MMTVBGGISA-N
MW398.53 g/mol
LogP3.18
Rot. Bonds6

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

2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 11903222) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID11903222
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1C
InChIInChI=1S/C22H26N2O3S/c1-15-10-11-18(12-16(15)2)23-21(25)13-28(27)14-22(26)24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,25)(H,24,26)/t20-,28-/m0/s1
InChIKeyUXQACMBKNRIFNA-MMTVBGGISA-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-[(S)-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11903231
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
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2523881
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92676137
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8780129
(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide
CID 7321311

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 11903222) is 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1C.
What is the InChIKey of 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is UXQACMBKNRIFNA-MMTVBGGISA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-15-10-11-18(12-16(15)2)23-21(25)13-28(27)14-22(26)24-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,25)(H,24,26)/t20-,28-/m0/s1.
What are the key properties of 2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-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-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 11903222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).