2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

C22H28N2O2S — CID 9149593

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1ccc(SCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C
InChIInChI=1S/C22H28N2O2S/c1-17-8-9-20(14-18(17)2)27-16-22(25)23-21(19-6-4-3-5-7-19)15-24-10-12-26-13-11-24/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyNLVCXRDMBFHOIX-OAQYLSRUSA-N
MW384.55 g/mol
LogP3.59
Rot. Bonds7

About 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (PubChem CID 9149593) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
PubChem CID9149593
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1ccc(SCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C
InChIInChI=1S/C22H28N2O2S/c1-17-8-9-20(14-18(17)2)27-16-22(25)23-21(19-6-4-3-5-7-19)15-24-10-12-26-13-11-24/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyNLVCXRDMBFHOIX-OAQYLSRUSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide with MolForge

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148831
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149659
3-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide
CID 24649384
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (CID 9149593) is 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is Cc1ccc(SCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The InChIKey is NLVCXRDMBFHOIX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-17-8-9-20(14-18(17)2)27-16-22(25)23-21(19-6-4-3-5-7-19)15-24-10-12-26-13-11-24/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide has a molecular weight of 384.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9149593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).