N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C22H21N3O4S — CID 55787848

IUPACN-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-3-7-19(8-4-15)29-21-10-6-18(14-23-21)24-22(26)17-5-9-20-16(13-17)11-12-25(20)30(2,27)28/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)
InChIKeyPHRNSWDTCQOVLU-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.76
Rot. Bonds5

About N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55787848) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55787848
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-3-7-19(8-4-15)29-21-10-6-18(14-23-21)24-22(26)17-5-9-20-16(13-17)11-12-25(20)30(2,27)28/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)
InChIKeyPHRNSWDTCQOVLU-UHFFFAOYSA-N
XLogP3.76
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119515394
1-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-carboxamide
CID 9361204
N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9425229
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
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
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
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55787787
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55787848) is N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)cc1.
What is the InChIKey of N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is PHRNSWDTCQOVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-3-7-19(8-4-15)29-21-10-6-18(14-23-21)24-22(26)17-5-9-20-16(13-17)11-12-25(20)30(2,27)28/h3-10,13-14H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55787848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).