2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide

C17H16ClN3O2S — CID 71891405

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1ncccc1Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H16ClN3O2S/c1-10(11-4-5-14-12(7-11)8-15(22)21-14)20-16(23)9-24-17-13(18)3-2-6-19-17/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKUFFGTOMZQXMJB-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.20
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide (PubChem CID 71891405) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
PubChem CID71891405
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1ncccc1Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H16ClN3O2S/c1-10(11-4-5-14-12(7-11)8-15(22)21-14)20-16(23)9-24-17-13(18)3-2-6-19-17/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKUFFGTOMZQXMJB-UHFFFAOYSA-N
XLogP3.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71893219
1-(3-methyl-2-pyridinyl)-3-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
CID 94129872
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
1-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94031015
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
CID 166278666
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
1-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 95130541
N-[3-oxo-3-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propyl]furan-2-carboxamide
CID 47048455
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
1-ethyl-2,5-dimethyl-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]pyrrole-3-carboxamide
CID 96997257

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide (CID 71891405) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide is CC(NC(=O)CSc1ncccc1Cl)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The InChIKey is KUFFGTOMZQXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10(11-4-5-14-12(7-11)8-15(22)21-14)20-16(23)9-24-17-13(18)3-2-6-19-17/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide is sourced from PubChem (CID 71891405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).