3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide

C19H22N2O5S — CID 17475270

IUPAC3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5S/c1-24-15-8-12(9-16(25-2)18(15)26-3)19(23)20-11-17(22)21-13-6-5-7-14(10-13)27-4/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyYFHPCRBDKCYBKK-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.80
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 17475270) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID17475270
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5S/c1-24-15-8-12(9-16(25-2)18(15)26-3)19(23)20-11-17(22)21-13-6-5-7-14(10-13)27-4/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyYFHPCRBDKCYBKK-UHFFFAOYSA-N
XLogP2.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 27229119
4-bromo-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9402849
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 17475270) is 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is YFHPCRBDKCYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-24-15-8-12(9-16(25-2)18(15)26-3)19(23)20-11-17(22)21-13-6-5-7-14(10-13)27-4/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 17475270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).