5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide

C27H31N3O3S — CID 55895335

IUPAC5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C27H31N3O3S/c1-19-13-14-22(34(32,33)29-27(2,3)4)17-23(19)26(31)28-24-11-7-5-10-21(24)18-30-16-15-20-9-6-8-12-25(20)30/h5-14,17,29H,15-16,18H2,1-4H3,(H,28,31)
InChIKeyRWESDKFFYKKENK-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.89
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide (PubChem CID 55895335) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide
PubChem CID55895335
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC Name5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C27H31N3O3S/c1-19-13-14-22(34(32,33)29-27(2,3)4)17-23(19)26(31)28-24-11-7-5-10-21(24)18-30-16-15-20-9-6-8-12-25(20)30/h5-14,17,29H,15-16,18H2,1-4H3,(H,28,31)
InChIKeyRWESDKFFYKKENK-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2,4-dimethoxybenzamide
CID 55816792
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
4-(diethylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55817209
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60532053
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 55727057

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide (CID 55895335) is 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccccc1CN1CCc2ccccc21.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide?
The InChIKey is RWESDKFFYKKENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-19-13-14-22(34(32,33)29-27(2,3)4)17-23(19)26(31)28-24-11-7-5-10-21(24)18-30-16-15-20-9-6-8-12-25(20)30/h5-14,17,29H,15-16,18H2,1-4H3,(H,28,31).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide has a molecular weight of 477.63 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 55895335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).