2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

C20H24N2O6S — CID 1447934

IUPAC2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSCC(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C20H24N2O6S/c1-25-15-5-13(6-16(9-15)26-2)21-19(23)11-29-12-20(24)22-14-7-17(27-3)10-18(8-14)28-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyUBSKAROFNMTIDG-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.03
Rot. Bonds10

About 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 1447934) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID1447934
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSCC(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C20H24N2O6S/c1-25-15-5-13(6-16(9-15)26-2)21-19(23)11-29-12-20(24)22-14-7-17(27-3)10-18(8-14)28-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyUBSKAROFNMTIDG-UHFFFAOYSA-N
XLogP3.03
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (CID 1447934) is 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CSCC(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is UBSKAROFNMTIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-25-15-5-13(6-16(9-15)26-2)21-19(23)11-29-12-20(24)22-14-7-17(27-3)10-18(8-14)28-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1447934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).