2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C20H25N3O4S — CID 8010854

IUPAC2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)c1
InChIInChI=1S/C20H25N3O4S/c1-23(12-19(24)21-15-7-5-6-8-18(15)28-4)13-20(25)22-16-11-14(26-2)9-10-17(16)27-3/h5-11H,12-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBNKATSCAAVPMSE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.93
Rot. Bonds9

About 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 8010854) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID8010854
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)c1
InChIInChI=1S/C20H25N3O4S/c1-23(12-19(24)21-15-7-5-6-8-18(15)28-4)13-20(25)22-16-11-14(26-2)9-10-17(16)27-3/h5-11H,12-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBNKATSCAAVPMSE-UHFFFAOYSA-N
XLogP2.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9039794
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 1298122
1-(2,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 19648706
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8692101
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953194
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
N-(2,5-dimethoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260607
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 126390110

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 8010854) is 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)c1.
What is the InChIKey of 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is BNKATSCAAVPMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-23(12-19(24)21-15-7-5-6-8-18(15)28-4)13-20(25)22-16-11-14(26-2)9-10-17(16)27-3/h5-11H,12-13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 8010854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).