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

C22H26N2O4S — CID 11890821

IUPAC2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-2-28-18-12-10-17(11-13-18)23-21(25)14-29(27)15-22(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,2,5,7,9,14-15H2,1H3,(H,23,25)(H,24,26)/t20-,29-/m0/s1
InChIKeyBPLLTAWYLNBDKP-WRONEBCDSA-N
MW414.53 g/mol
LogP2.97
Rot. Bonds8

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

2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 11890821) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID11890821
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-2-28-18-12-10-17(11-13-18)23-21(25)14-29(27)15-22(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,2,5,7,9,14-15H2,1H3,(H,23,25)(H,24,26)/t20-,29-/m0/s1
InChIKeyBPLLTAWYLNBDKP-WRONEBCDSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11903222
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 7973970
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
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-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
2-[[5-(4-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41144667
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592
2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
CID 40810648

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 11890821) is 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCOc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is BPLLTAWYLNBDKP-WRONEBCDSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-2-28-18-12-10-17(11-13-18)23-21(25)14-29(27)15-22(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,2,5,7,9,14-15H2,1H3,(H,23,25)(H,24,26)/t20-,29-/m0/s1.
What are the key properties of 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 11890821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).