2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

C22H21FN2O5S — CID 118384371

IUPAC2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1S(C)(=O)=O
InChIInChI=1S/C22H21FN2O5S/c1-12(2)29-17-11-16-18(22(26)24-3)20(13-5-7-14(23)8-6-13)30-21(16)15-9-10-25(19(15)17)31(4,27)28/h5-12H,1-4H3,(H,24,26)
InChIKeyKIHFZIZCTVWDDS-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.15
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (PubChem CID 118384371) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
PubChem CID118384371
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1S(C)(=O)=O
InChIInChI=1S/C22H21FN2O5S/c1-12(2)29-17-11-16-18(22(26)24-3)20(13-5-7-14(23)8-6-13)30-21(16)15-9-10-25(19(15)17)31(4,27)28/h5-12H,1-4H3,(H,24,26)
InChIKeyKIHFZIZCTVWDDS-UHFFFAOYSA-N
XLogP4.15
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 118384371) is 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1c2ccn1S(C)(=O)=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The InChIKey is KIHFZIZCTVWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c1-12(2)29-17-11-16-18(22(26)24-3)20(13-5-7-14(23)8-6-13)30-21(16)15-9-10-25(19(15)17)31(4,27)28/h5-12H,1-4H3,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 118384371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).