2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide

C18H21N3O3S — CID 2539254

IUPAC2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-24-16-7-5-15(6-8-16)21-18(23)13-25-12-17(22)20-11-9-14-4-2-3-10-19-14/h2-8,10H,9,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyMRVVKSKXPURXHQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.12
Rot. Bonds9

About 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide

2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 2539254) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID2539254
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-24-16-7-5-15(6-8-16)21-18(23)13-25-12-17(22)20-11-9-14-4-2-3-10-19-14/h2-8,10H,9,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyMRVVKSKXPURXHQ-UHFFFAOYSA-N
XLogP2.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide (CID 2539254) is 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide is COc1ccc(NC(=O)CSCC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is MRVVKSKXPURXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-16-7-5-15(6-8-16)21-18(23)13-25-12-17(22)20-11-9-14-4-2-3-10-19-14/h2-8,10H,9,11-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 2539254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).