N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

C34H33ClN2O5S — CID 175565321

IUPACN-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1N(Cc1cc(Cl)ccc1OCCC)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C34H33ClN2O5S/c1-3-18-36-43(39,40)33-17-14-25(24-10-6-5-7-11-24)21-29(33)37(23-27-20-28(35)15-16-30(27)41-19-4-2)34(38)32-22-26-12-8-9-13-31(26)42-32/h5-17,20-22,36H,3-4,18-19,23H2,1-2H3
InChIKeyWIBLIGGERNMEIT-UHFFFAOYSA-N
MW617.17 g/mol
LogP8.08
Rot. Bonds12

About N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 175565321) has the molecular formula C34H33ClN2O5S and a molecular weight of 617.17 g/mol. Its IUPAC name is N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID175565321
Molecular FormulaC34H33ClN2O5S
Molecular Weight617.17 g/mol
Exact Mass616.18
IUPAC NameN-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1N(Cc1cc(Cl)ccc1OCCC)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C34H33ClN2O5S/c1-3-18-36-43(39,40)33-17-14-25(24-10-6-5-7-11-24)21-29(33)37(23-27-20-28(35)15-16-30(27)41-19-4-2)34(38)32-22-26-12-8-9-13-31(26)42-32/h5-17,20-22,36H,3-4,18-19,23H2,1-2H3
InChIKeyWIBLIGGERNMEIT-UHFFFAOYSA-N
XLogP8.08
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.17
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(propylsulfamoyl)phenyl]phenyl]-2-thiophen-3-ylacetamide
CID 171777081
2-bromo-N-[(5-chloro-2-propoxyphenyl)methyl]-N-[[2-[4-(propylsulfamoyl)phenyl]phenyl]methyl]acetamide
CID 171777079
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[[3-[5-(propylsulfamoyl)thiophen-2-yl]phenyl]methyl]cyclopropanecarboxamide
CID 171777057
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
CID 120716467
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 175565321) is N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is CCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1N(Cc1cc(Cl)ccc1OCCC)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is WIBLIGGERNMEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClN2O5S/c1-3-18-36-43(39,40)33-17-14-25(24-10-6-5-7-11-24)21-29(33)37(23-27-20-28(35)15-16-30(27)41-19-4-2)34(38)32-22-26-12-8-9-13-31(26)42-32/h5-17,20-22,36H,3-4,18-19,23H2,1-2H3.
What are the key properties of N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 617.17 g/mol, XLogP of 8.08, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propoxyphenyl)methyl]-N-[5-phenyl-2-(propylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 175565321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).