3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide

C23H26N2O5S — CID 55588325

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
SMILESCOc1cccc2cc(C(C)NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)oc12
InChIInChI=1S/C23H26N2O5S/c1-15(21-14-17-4-3-5-20(29-2)23(17)30-21)24-22(26)13-8-16-6-11-19(12-7-16)31(27,28)25-18-9-10-18/h3-7,11-12,14-15,18,25H,8-10,13H2,1-2H3,(H,24,26)
InChIKeyMJOOYBIRNVTYGJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.69
Rot. Bonds9

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide (PubChem CID 55588325) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
PubChem CID55588325
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
SMILESCOc1cccc2cc(C(C)NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)oc12
InChIInChI=1S/C23H26N2O5S/c1-15(21-14-17-4-3-5-20(29-2)23(17)30-21)24-22(26)13-8-16-6-11-19(12-7-16)31(27,28)25-18-9-10-18/h3-7,11-12,14-15,18,25H,8-10,13H2,1-2H3,(H,24,26)
InChIKeyMJOOYBIRNVTYGJ-UHFFFAOYSA-N
XLogP3.69
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 43873814
3-(cyclopentylsulfamoyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]benzamide
CID 55588486
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 55579481
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588775
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47024453

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide (CID 55588325) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide is COc1cccc2cc(C(C)NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)oc12.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The InChIKey is MJOOYBIRNVTYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-15(21-14-17-4-3-5-20(29-2)23(17)30-21)24-22(26)13-8-16-6-11-19(12-7-16)31(27,28)25-18-9-10-18/h3-7,11-12,14-15,18,25H,8-10,13H2,1-2H3,(H,24,26).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide has a molecular weight of 442.54 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 55588325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).