2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C20H24N2O4S — CID 1447930

IUPAC2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H24N2O4S/c1-13-5-7-17(25-3)15(9-13)21-19(23)11-27-12-20(24)22-16-10-14(2)6-8-18(16)26-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyWRZXCIMYCXGNJY-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.63
Rot. Bonds8

About 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 1447930) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID1447930
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H24N2O4S/c1-13-5-7-17(25-3)15(9-13)21-19(23)11-27-12-20(24)22-16-10-14(2)6-8-18(16)26-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyWRZXCIMYCXGNJY-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385235
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 66224988
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897632
2-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569170
tert-butyl N-[2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553736
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105354217
4,4,4-trifluoro-3-hydroxy-N-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butanamide
CID 823256

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 1447930) is 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSCC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is WRZXCIMYCXGNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-5-7-17(25-3)15(9-13)21-19(23)11-27-12-20(24)22-16-10-14(2)6-8-18(16)26-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 1447930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).