N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C19H21BrN2O3S — CID 100801390

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C19H21BrN2O3S/c1-4-13-11-16(20)9-12(2)18(13)21-19(23)15-5-6-17-14(10-15)7-8-22(17)26(3,24)25/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,23)
InChIKeyOVPUUHUDIHVTJJ-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.89
Rot. Bonds4

About N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 100801390) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID100801390
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C19H21BrN2O3S/c1-4-13-11-16(20)9-12(2)18(13)21-19(23)15-5-6-17-14(10-15)7-8-22(17)26(3,24)25/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,23)
InChIKeyOVPUUHUDIHVTJJ-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9157935
N-(5-bromo-2-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55905643
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 36565838
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9183075
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 100801390) is N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is OVPUUHUDIHVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-4-13-11-16(20)9-12(2)18(13)21-19(23)15-5-6-17-14(10-15)7-8-22(17)26(3,24)25/h5-6,9-11H,4,7-8H2,1-3H3,(H,21,23).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 437.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100801390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).