2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

C21H26N2O4S — CID 55394981

IUPAC2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)NC(C)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H26N2O4S/c1-14-5-10-19(27-4)18(11-14)15(2)22-20(24)12-28-13-21(25)23-16-6-8-17(26-3)9-7-16/h5-11,15H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDEAHBEZRHCMIMA-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.56
Rot. Bonds9

About 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 55394981) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID55394981
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)NC(C)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H26N2O4S/c1-14-5-10-19(27-4)18(11-14)15(2)22-20(24)12-28-13-21(25)23-16-6-8-17(26-3)9-7-16/h5-11,15H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDEAHBEZRHCMIMA-UHFFFAOYSA-N
XLogP3.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide with MolForge

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Related Compounds

[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786234
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263899
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9368153
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 55394981) is 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCC(=O)NC(C)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is DEAHBEZRHCMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-5-10-19(27-4)18(11-14)15(2)22-20(24)12-28-13-21(25)23-16-6-8-17(26-3)9-7-16/h5-11,15H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 55394981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).