2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C17H19N3O4S — CID 18104350

IUPAC2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C17H19N3O4S/c1-11-4-3-5-13(8-11)18-15(21)9-25-10-16(22)19-20-17(23)14-6-7-24-12(14)2/h3-8H,9-10H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeySQSXBRPCHLWXCM-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 18104350) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID18104350
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C17H19N3O4S/c1-11-4-3-5-13(8-11)18-15(21)9-25-10-16(22)19-20-17(23)14-6-7-24-12(14)2/h3-8H,9-10H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeySQSXBRPCHLWXCM-UHFFFAOYSA-N
XLogP2.03
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 18104350) is 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSCC(=O)NNC(=O)c2ccoc2C)c1.
What is the InChIKey of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is SQSXBRPCHLWXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-4-3-5-13(8-11)18-15(21)9-25-10-16(22)19-20-17(23)14-6-7-24-12(14)2/h3-8H,9-10H2,1-2H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 361.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 18104350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).