5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide

C33H29FN2O5S — CID 131732297

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C33H29FN2O5S/c1-35-33(37)31-28-18-27(22-8-9-22)29(19-30(28)41-32(31)23-10-12-24(34)13-11-23)36(42(2,38)39)25-14-16-26(17-15-25)40-20-21-6-4-3-5-7-21/h3-7,10-19,22H,8-9,20H2,1-2H3,(H,35,37)
InChIKeyDWEFDIUHMMRDCY-UHFFFAOYSA-N
MW584.67 g/mol
LogP7.15
Rot. Bonds9

About 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide

5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide (PubChem CID 131732297) has the molecular formula C33H29FN2O5S and a molecular weight of 584.67 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide
PubChem CID131732297
Molecular FormulaC33H29FN2O5S
Molecular Weight584.67 g/mol
Exact Mass584.18
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C33H29FN2O5S/c1-35-33(37)31-28-18-27(22-8-9-22)29(19-30(28)41-32(31)23-10-12-24(34)13-11-23)36(42(2,38)39)25-14-16-26(17-15-25)40-20-21-6-4-3-5-7-21/h3-7,10-19,22H,8-9,20H2,1-2H3,(H,35,37)
InChIKeyDWEFDIUHMMRDCY-UHFFFAOYSA-N
XLogP7.15
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.67
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[(4-phenylmethoxyphenyl)methyl-sulfinoamino]-1-benzofuran
CID 71258616
CID 150737539
CID 150737539
6-(3-chloro-N-methylsulfonyl-4-nitroanilino)-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 131732254
methyl 2-[5-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]-2-nitrophenyl]acetate
CID 71258760
3-[2-[2-[2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]ethoxy]ethoxy]ethoxymethyl]benzoic acid
CID 122573180
2-[2-[2-[2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]ethoxy]ethoxy]ethoxy]acetic acid
CID 122573446
5-cyclopropyl-2-(4-fluorophenyl)-6-[[(Z)-2-(methoxymethyl)but-2-enyl]-methylsulfonylamino]-N-methyl-1-benzofuran-3-carboxamide
CID 67717185
4-[2-[2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]ethoxy]ethoxymethyl]naphthalene-1-carboxylic acid
CID 122573336
[2-[2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]ethylamino]-2-oxoethyl]carbamic acid
CID 122573346
[4-[[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]-2-methoxyphenyl]boronic acid
CID 53372828
4-[4-[2-[2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]ethoxy]ethoxymethyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 154491320
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]-1-benzofuran-3-carboxamide
CID 44514422

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide (CID 131732297) is 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)c(C3CC3)cc12.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide?
The InChIKey is DWEFDIUHMMRDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN2O5S/c1-35-33(37)31-28-18-27(22-8-9-22)29(19-30(28)41-32(31)23-10-12-24(34)13-11-23)36(42(2,38)39)25-14-16-26(17-15-25)40-20-21-6-4-3-5-7-21/h3-7,10-19,22H,8-9,20H2,1-2H3,(H,35,37).
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide?
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide has a molecular weight of 584.67 g/mol, XLogP of 7.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 131732297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).