N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C22H23FN4O3S — CID 42884017

IUPACN-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC(c3ccccc3F)c3nccn3C)ccc2N1S(C)(=O)=O
InChIInChI=1S/C22H23FN4O3S/c1-14-12-16-13-15(8-9-19(16)27(14)31(3,29)30)22(28)25-20(21-24-10-11-26(21)2)17-6-4-5-7-18(17)23/h4-11,13-14,20H,12H2,1-3H3,(H,25,28)
InChIKeyGRUVPEPMQBUPJK-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.79
Rot. Bonds5

About N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 42884017) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID42884017
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC(c3ccccc3F)c3nccn3C)ccc2N1S(C)(=O)=O
InChIInChI=1S/C22H23FN4O3S/c1-14-12-16-13-15(8-9-19(16)27(14)31(3,29)30)22(28)25-20(21-24-10-11-26(21)2)17-6-4-5-7-18(17)23/h4-11,13-14,20H,12H2,1-3H3,(H,25,28)
InChIKeyGRUVPEPMQBUPJK-UHFFFAOYSA-N
XLogP2.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46528319
N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46821100
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 27900389
4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 17491274
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 34164693
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 46512935
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 41036704
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 27900346
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)benzamide
CID 18102497
N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 25325508

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 42884017) is N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)NC(c3ccccc3F)c3nccn3C)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is GRUVPEPMQBUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-14-12-16-13-15(8-9-19(16)27(14)31(3,29)30)22(28)25-20(21-24-10-11-26(21)2)17-6-4-5-7-18(17)23/h4-11,13-14,20H,12H2,1-3H3,(H,25,28).
What are the key properties of N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 42884017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).