N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

C19H23N3O3S — CID 9183075

IUPACN'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESCCN(NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C19H23N3O3S/c1-4-21(17-8-5-14(2)6-9-17)20-19(23)16-7-10-18-15(13-16)11-12-22(18)26(3,24)25/h5-10,13H,4,11-12H2,1-3H3,(H,20,23)
InChIKeyCJZMMKNFNVJWKK-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.49
Rot. Bonds5

About N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (PubChem CID 9183075) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.

Molecular Properties

Compound NameN'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
PubChem CID9183075
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESCCN(NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C19H23N3O3S/c1-4-21(17-8-5-14(2)6-9-17)20-19(23)16-7-10-18-15(13-16)11-12-22(18)26(3,24)25/h5-10,13H,4,11-12H2,1-3H3,(H,20,23)
InChIKeyCJZMMKNFNVJWKK-UHFFFAOYSA-N
XLogP2.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9425229
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-[(2R)-2-(ethylamino)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 120652193
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 9143473
2,2-dimethyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119249841
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138
N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819245
N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 100801390
2-methyl-5-[[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 122146239
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9157935

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The IUPAC name of N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (CID 9183075) is N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.
What is the SMILES notation for N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The canonical SMILES for N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is CCN(NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The InChIKey is CJZMMKNFNVJWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-21(17-8-5-14(2)6-9-17)20-19(23)16-7-10-18-15(13-16)11-12-22(18)26(3,24)25/h5-10,13H,4,11-12H2,1-3H3,(H,20,23).
What are the key properties of N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide has a molecular weight of 373.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is sourced from PubChem (CID 9183075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).