N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C21H25N3O4S — CID 8819662

IUPACN-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O4S/c1-4-23(5-2)21(26)15-6-9-18(10-7-15)22-20(25)17-8-11-19-16(14-17)12-13-24(19)29(3,27)28/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeySEHKAHVVKPROMO-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.74
Rot. Bonds6

About N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 8819662) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID8819662
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O4S/c1-4-23(5-2)21(26)15-6-9-18(10-7-15)22-20(25)17-8-11-19-16(14-17)12-13-24(19)29(3,27)28/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeySEHKAHVVKPROMO-UHFFFAOYSA-N
XLogP2.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55383141
1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide
CID 9361204
N-(4-cyclopentylsulfonylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55611137
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
N'-ethyl-N'-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9183075
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 8819662) is N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is SEHKAHVVKPROMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-4-23(5-2)21(26)15-6-9-18(10-7-15)22-20(25)17-8-11-19-16(14-17)12-13-24(19)29(3,27)28/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 8819662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).