(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

C18H23N5O4S — CID 9424940

IUPAC(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1
InChIInChI=1S/C18H23N5O4S/c1-11-7-12(2)22(21-11)10-17(24)19-20-18(25)14-5-6-16-15(9-14)8-13(3)23(16)28(4,26)27/h5-7,9,13H,8,10H2,1-4H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeyIWYSECDOYOOACY-ZDUSSCGKSA-N
MW405.48 g/mol
LogP0.67
Rot. Bonds4

About (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (PubChem CID 9424940) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
PubChem CID9424940
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1
InChIInChI=1S/C18H23N5O4S/c1-11-7-12(2)22(21-11)10-17(24)19-20-18(25)14-5-6-16-15(9-14)8-13(3)23(16)28(4,26)27/h5-7,9,13H,8,10H2,1-4H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeyIWYSECDOYOOACY-ZDUSSCGKSA-N
XLogP0.67
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide
CID 42932764
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
CID 4792234
(2R)-N'-(2-chlorobenzoyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9037439
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 26311422
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9481018

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The IUPAC name of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (CID 9424940) is (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.
What is the SMILES notation for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The canonical SMILES for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1.
What is the InChIKey of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The InChIKey is IWYSECDOYOOACY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-11-7-12(2)22(21-11)10-17(24)19-20-18(25)14-5-6-16-15(9-14)8-13(3)23(16)28(4,26)27/h5-7,9,13H,8,10H2,1-4H3,(H,19,24)(H,20,25)/t13-/m0/s1.
What are the key properties of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide has a molecular weight of 405.48 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is sourced from PubChem (CID 9424940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).