2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H21N5O4S — CID 46799225

IUPAC2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C19H21N5O4S/c1-11-7-16(24-28-11)21-19(27)12(2)29-10-18(26)23-22-17(25)8-13-9-20-15-6-4-3-5-14(13)15/h3-7,9,12,20H,8,10H2,1-2H3,(H,22,25)(H,23,26)(H,21,24,27)
InChIKeyCPNLCZJRHDVFQA-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.91
Rot. Bonds7

About 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 46799225) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID46799225
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C19H21N5O4S/c1-11-7-16(24-28-11)21-19(27)12(2)29-10-18(26)23-22-17(25)8-13-9-20-15-6-4-3-5-14(13)15/h3-7,9,12,20H,8,10H2,1-2H3,(H,22,25)(H,23,26)(H,21,24,27)
InChIKeyCPNLCZJRHDVFQA-UHFFFAOYSA-N
XLogP1.91
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
(2R)-2-amino-3-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 104910728
(2R)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9476645
2-(1H-indol-3-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990361
2-(1H-indol-3-yl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]acetamide
CID 113051735
2-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119440797
2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]-N-propan-2-ylbenzamide
CID 55672687
(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7959640
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
(2R)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9314624
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
(2S)-2-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9472073

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 46799225) is 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)SCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)no1.
What is the InChIKey of 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CPNLCZJRHDVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-11-7-16(24-28-11)21-19(27)12(2)29-10-18(26)23-22-17(25)8-13-9-20-15-6-4-3-5-14(13)15/h3-7,9,12,20H,8,10H2,1-2H3,(H,22,25)(H,23,26)(H,21,24,27).
What are the key properties of 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 415.48 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 46799225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).