(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide

C15H16N4O4S — CID 56800905

IUPAC(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H16N4O4S/c1-10(20)19-13-6-4-3-5-11(13)7-14(19)15(21)17-24(22,23)12-8-16-18(2)9-12/h3-6,8-9,14H,7H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyXIUJALUMAUMFKN-AWEZNQCLSA-N
MW348.38 g/mol
LogP0.20
Rot. Bonds3

About (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 56800905) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID56800905
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H16N4O4S/c1-10(20)19-13-6-4-3-5-11(13)7-14(19)15(21)17-24(22,23)12-8-16-18(2)9-12/h3-6,8-9,14H,7H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyXIUJALUMAUMFKN-AWEZNQCLSA-N
XLogP0.20
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 138995578
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 75376328
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide
CID 126824986
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide (CID 56800905) is (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is XIUJALUMAUMFKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-10(20)19-13-6-4-3-5-11(13)7-14(19)15(21)17-24(22,23)12-8-16-18(2)9-12/h3-6,8-9,14H,7H2,1-2H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 56800905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).