N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide

C18H20N4O3S — CID 52521217

IUPACN-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide
SMILESCc1cc(NC(=O)Cn2ccc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C18H20N4O3S/c1-13-10-17(22(20-13)15-7-9-26(24,25)12-15)19-18(23)11-21-8-6-14-4-2-3-5-16(14)21/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyVMNDEBIBZPIZOY-OAHLLOKOSA-N
MW372.45 g/mol
LogP2.14
Rot. Bonds4

About N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide

N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide (PubChem CID 52521217) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide
PubChem CID52521217
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide
SMILESCc1cc(NC(=O)Cn2ccc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C18H20N4O3S/c1-13-10-17(22(20-13)15-7-9-26(24,25)12-15)19-18(23)11-21-8-6-14-4-2-3-5-16(14)21/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyVMNDEBIBZPIZOY-OAHLLOKOSA-N
XLogP2.14
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
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2-(dibenzylamino)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 75864752
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CID 55463949
2-[2-[[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 55560320
2-cyclohexyl-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 78805795
2-[[cyclopropyl(phenyl)methyl]amino]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 112806625
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55560857
[2-[[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 18292356
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]acetamide
CID 39974928
ethyl N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]carbamate
CID 99976088
2-(3,4-difluoro-N-methylanilino)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide?
The IUPAC name of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide (CID 52521217) is N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide is Cc1cc(NC(=O)Cn2ccc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide?
The InChIKey is VMNDEBIBZPIZOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13-10-17(22(20-13)15-7-9-26(24,25)12-15)19-18(23)11-21-8-6-14-4-2-3-5-16(14)21/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide?
N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-indol-1-ylacetamide is sourced from PubChem (CID 52521217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).