2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide

C23H23N3O4S — CID 42932764

IUPAC2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide
SMILESCC1Cc2cc(C(=O)NNC(=O)Cc3cccc4ccccc34)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H23N3O4S/c1-15-12-19-13-18(10-11-21(19)26(15)31(2,29)30)23(28)25-24-22(27)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-11,13,15H,12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHSEGLLOHLIYORB-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide

2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide (PubChem CID 42932764) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide
PubChem CID42932764
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide
SMILESCC1Cc2cc(C(=O)NNC(=O)Cc3cccc4ccccc34)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H23N3O4S/c1-15-12-19-13-18(10-11-21(19)26(15)31(2,29)30)23(28)25-24-22(27)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-11,13,15H,12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHSEGLLOHLIYORB-UHFFFAOYSA-N
XLogP2.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
(2R)-N'-(2-chlorobenzoyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9037439
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55567472
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9327258
(2S)-2-methyl-1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 9143339
(2S)-N-(furan-2-ylmethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9034464
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
(2-methylphenyl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55472400
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide (CID 42932764) is 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide is CC1Cc2cc(C(=O)NNC(=O)Cc3cccc4ccccc34)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide?
The InChIKey is HSEGLLOHLIYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-15-12-19-13-18(10-11-21(19)26(15)31(2,29)30)23(28)25-24-22(27)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-11,13,15H,12,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide?
2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide has a molecular weight of 437.52 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydroindole-5-carbohydrazide is sourced from PubChem (CID 42932764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).