6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

C35H34FN5O6S — CID 155533768

IUPAC6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(C)c(OC)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O
InChIInChI=1S/C35H34FN5O6S/c1-6-41(48(5,44)45)27-19-28-25(29(33(43)37-3)31(47-28)21-8-10-23(36)11-9-21)18-24(27)22-16-20(2)30(46-4)26(17-22)32(42)40-35(12-13-35)34-38-14-7-15-39-34/h7-11,14-19H,6,12-13H2,1-5H3,(H,37,43)(H,40,42)
InChIKeyZAPGMDYFSUZKCG-UHFFFAOYSA-N
MW671.75 g/mol
LogP5.58
Rot. Bonds10

About 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 155533768) has the molecular formula C35H34FN5O6S and a molecular weight of 671.75 g/mol. Its IUPAC name is 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID155533768
Molecular FormulaC35H34FN5O6S
Molecular Weight671.75 g/mol
Exact Mass671.22
IUPAC Name6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(C)c(OC)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O
InChIInChI=1S/C35H34FN5O6S/c1-6-41(48(5,44)45)27-19-28-25(29(33(43)37-3)31(47-28)21-8-10-23(36)11-9-21)18-24(27)22-16-20(2)30(46-4)26(17-22)32(42)40-35(12-13-35)34-38-14-7-15-39-34/h7-11,14-19H,6,12-13H2,1-5H3,(H,37,43)(H,40,42)
InChIKeyZAPGMDYFSUZKCG-UHFFFAOYSA-N
XLogP5.58
TPSA143.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.75
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

Bms-929075
CID 59275404
2-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrimidin-2-yl)cyclopropylcarbamoyl)phenyl)benzofuran-3-carboxamide
CID 46178246
2-(4-fluorophenyl)-5-(11-fluoropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318214
2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxopyrido[3,2-d]pyrimidin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 86763643
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
CID 134828054
14-(4-fluorophenyl)-N,2-dimethyl-9-methylsulfonyl-13-oxa-3,6,9-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),4,6,11,14,16-hexaene-15-carboxamide
CID 57330990
2-(4-Fluorophenyl)-6-(n-(2-hydroxyethyl)methylsulfonamido)-n-methyl-5-(3-(1-(pyridin-2-yl)cyclopropylcarbamoyl)phenyl)benzofuran-3-carboxamide
CID 59275584
2-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrimidin-4-yl)cyclopropyl carbamoyl)phenyl)benzofuran-3-carboxamide
CID 59505145
2-(4-fluorophenyl)-5-[3-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 86764196
2-(4-fluorophenyl)-5-[3-[(5-fluoro-2-pyridinyl)methyl]-4-oxo-1,2,3-benzotriazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87055320
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 71509255
5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509399

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 155533768) is 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is CCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(C)c(OC)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O.
What is the InChIKey of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is ZAPGMDYFSUZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN5O6S/c1-6-41(48(5,44)45)27-19-28-25(29(33(43)37-3)31(47-28)21-8-10-23(36)11-9-21)18-24(27)22-16-20(2)30(46-4)26(17-22)32(42)40-35(12-13-35)34-38-14-7-15-39-34/h7-11,14-19H,6,12-13H2,1-5H3,(H,37,43)(H,40,42).
What are the key properties of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 671.75 g/mol, XLogP of 5.58, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 155533768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).