5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide

C14H21N3O3S — CID 93065305

IUPAC5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC
InChIInChI=1S/C14H21N3O3S/c1-4-10(2)16-21(19,20)12-5-6-13-11(9-12)7-8-17(13)14(18)15-3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyXFXIDNLDNPZUHF-JTQLQIEISA-N
MW311.41 g/mol
LogP1.47
Rot. Bonds4

About 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide

5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 93065305) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID93065305
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC
InChIInChI=1S/C14H21N3O3S/c1-4-10(2)16-21(19,20)12-5-6-13-11(9-12)7-8-17(13)14(18)15-3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyXFXIDNLDNPZUHF-JTQLQIEISA-N
XLogP1.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059177
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 95637329
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
CID 4105190
5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53059187
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911
N-[1-(3,4-dimethylphenyl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 133184321

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide (CID 93065305) is 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide is CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC.
What is the InChIKey of 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is XFXIDNLDNPZUHF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-10(2)16-21(19,20)12-5-6-13-11(9-12)7-8-17(13)14(18)15-3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide?
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 93065305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).