2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide

C18H19N3O3S — CID 613984

IUPAC2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23)
InChIKeyGVHRWZDQEOFUJU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide

2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide (PubChem CID 613984) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
PubChem CID613984
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23)
InChIKeyGVHRWZDQEOFUJU-UHFFFAOYSA-N
XLogP2.73
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide (CID 613984) is 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1.
What is the InChIKey of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is GVHRWZDQEOFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23).
What are the key properties of 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide?
2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 613984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).