2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide

C19H17FN2O4S — CID 70800558

IUPAC2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)CCN3S(C)(=O)=O
InChIInChI=1S/C19H17FN2O4S/c1-21-19(23)17-14-9-12-7-8-22(27(2,24)25)15(12)10-16(14)26-18(17)11-3-5-13(20)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyZZTWFTQTMVOPEW-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide

2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide (PubChem CID 70800558) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide
PubChem CID70800558
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)CCN3S(C)(=O)=O
InChIInChI=1S/C19H17FN2O4S/c1-21-19(23)17-14-9-12-7-8-22(27(2,24)25)15(12)10-16(14)26-18(17)11-3-5-13(20)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyZZTWFTQTMVOPEW-UHFFFAOYSA-N
XLogP2.92
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide (CID 70800558) is 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)CCN3S(C)(=O)=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide?
The InChIKey is ZZTWFTQTMVOPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-21-19(23)17-14-9-12-7-8-22(27(2,24)25)15(12)10-16(14)26-18(17)11-3-5-13(20)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide is sourced from PubChem (CID 70800558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).