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

C22H26N2O2S — CID 7973944

IUPAC2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C22H26N2O2S/c1-15-10-11-19(16(2)12-15)23-21(25)13-27-14-22(26)24-20-9-5-7-17-6-3-4-8-18(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,25)(H,24,26)/t20-/m0/s1
InChIKeyOKFCTZOCOUMGBQ-FQEVSTJZSA-N
MW382.53 g/mol
LogP4.17
Rot. Bonds6

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

2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 7973944) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID7973944
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C22H26N2O2S/c1-15-10-11-19(16(2)12-15)23-21(25)13-27-14-22(26)24-20-9-5-7-17-6-3-4-8-18(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,25)(H,24,26)/t20-/m0/s1
InChIKeyOKFCTZOCOUMGBQ-FQEVSTJZSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide with MolForge

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Related Compounds

2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362095
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362094
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352779
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 31548705
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2523881
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30389296
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9166290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 7973944) is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is OKFCTZOCOUMGBQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-15-10-11-19(16(2)12-15)23-21(25)13-27-14-22(26)24-20-9-5-7-17-6-3-4-8-18(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,25)(H,24,26)/t20-/m0/s1.
What are the key properties of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 7973944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).