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

C20H21FN2O3S — CID 34577851

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N(Cc3ccccc3F)C3CC3)ccc21
InChIInChI=1S/C20H21FN2O3S/c1-27(25,26)23-11-10-14-12-15(6-9-19(14)23)20(24)22(17-7-8-17)13-16-4-2-3-5-18(16)21/h2-6,9,12,17H,7-8,10-11,13H2,1H3
InChIKeyLCNTWKADGDSMJE-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.95
Rot. Bonds5

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

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 34577851) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID34577851
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N(Cc3ccccc3F)C3CC3)ccc21
InChIInChI=1S/C20H21FN2O3S/c1-27(25,26)23-11-10-14-12-15(6-9-19(14)23)20(24)22(17-7-8-17)13-16-4-2-3-5-18(16)21/h2-6,9,12,17H,7-8,10-11,13H2,1H3
InChIKeyLCNTWKADGDSMJE-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 34577851) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)N(Cc3ccccc3F)C3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is LCNTWKADGDSMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-27(25,26)23-11-10-14-12-15(6-9-19(14)23)20(24)22(17-7-8-17)13-16-4-2-3-5-18(16)21/h2-6,9,12,17H,7-8,10-11,13H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 34577851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).