2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

C16H18N4OS — CID 119071282

IUPAC2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CSc2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C16H18N4OS/c1-11-7-12(19-18-11)8-17-16(21)10-22-15-9-20(2)14-6-4-3-5-13(14)15/h3-7,9H,8,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPVZKOYYVXPIVEU-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.62
Rot. Bonds5

About 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (PubChem CID 119071282) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
PubChem CID119071282
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CSc2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C16H18N4OS/c1-11-7-12(19-18-11)8-17-16(21)10-22-15-9-20(2)14-6-4-3-5-13(14)15/h3-7,9H,8,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPVZKOYYVXPIVEU-UHFFFAOYSA-N
XLogP2.62
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 119069253
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide
CID 99931449
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide
CID 99931448
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 4064020
2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
CID 162626281
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide
CID 46999116
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 126806058
2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 166204960

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (CID 119071282) is 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is Cc1cc(CNC(=O)CSc2cn(C)c3ccccc23)n[nH]1.
What is the InChIKey of 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The InChIKey is PVZKOYYVXPIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-7-12(19-18-11)8-17-16(21)10-22-15-9-20(2)14-6-4-3-5-13(14)15/h3-7,9H,8,10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 119071282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).