3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide

C21H27N3O3S — CID 133231360

IUPAC3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
SMILESCC1Cc2ccccc2N1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O3S/c1-16-14-17-8-4-5-11-20(17)24(16)13-7-12-22-21(25)18-9-6-10-19(15-18)28(26,27)23(2)3/h4-6,8-11,15-16H,7,12-14H2,1-3H3,(H,22,25)
InChIKeyMSBCWBISNRJJTG-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.51
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide

3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide (PubChem CID 133231360) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
PubChem CID133231360
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
SMILESCC1Cc2ccccc2N1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O3S/c1-16-14-17-8-4-5-11-20(17)24(16)13-7-12-22-21(25)18-9-6-10-19(15-18)28(26,27)23(2)3/h4-6,8-11,15-16H,7,12-14H2,1-3H3,(H,22,25)
InChIKeyMSBCWBISNRJJTG-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55621722
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100614763
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 51159788
1-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-2-oxopyridine-4-carboxamide
CID 95235616
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3,5-dinitrobenzamide
CID 60599573
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95238811
6-(dimethylamino)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyridine-3-carboxamide
CID 86860635
(2R)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100674924

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide (CID 133231360) is 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide is CC1Cc2ccccc2N1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide?
The InChIKey is MSBCWBISNRJJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-14-17-8-4-5-11-20(17)24(16)13-7-12-22-21(25)18-9-6-10-19(15-18)28(26,27)23(2)3/h4-6,8-11,15-16H,7,12-14H2,1-3H3,(H,22,25).
What are the key properties of 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide?
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide is sourced from PubChem (CID 133231360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).