N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide

C33H29N3O4S — CID 175312869

IUPACN-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-n2cc(C(c3ccccc3)c3oc4ccccc4c3NS(=O)(=O)c3ccc(C)cc3)c(C)n2)cc1
InChIInChI=1S/C33H29N3O4S/c1-22-13-19-27(20-14-22)41(37,38)35-32-28-11-7-8-12-30(28)40-33(32)31(24-9-5-4-6-10-24)29-21-36(34-23(29)2)25-15-17-26(39-3)18-16-25/h4-21,31,35H,1-3H3
InChIKeyNJBDSMHADRFPGZ-UHFFFAOYSA-N
MW563.68 g/mol
LogP7.22
Rot. Bonds8

About N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide

N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide (PubChem CID 175312869) has the molecular formula C33H29N3O4S and a molecular weight of 563.68 g/mol. Its IUPAC name is N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide
PubChem CID175312869
Molecular FormulaC33H29N3O4S
Molecular Weight563.68 g/mol
Exact Mass563.19
IUPAC NameN-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-n2cc(C(c3ccccc3)c3oc4ccccc4c3NS(=O)(=O)c3ccc(C)cc3)c(C)n2)cc1
InChIInChI=1S/C33H29N3O4S/c1-22-13-19-27(20-14-22)41(37,38)35-32-28-11-7-8-12-30(28)40-33(32)31(24-9-5-4-6-10-24)29-21-36(34-23(29)2)25-15-17-26(39-3)18-16-25/h4-21,31,35H,1-3H3
InChIKeyNJBDSMHADRFPGZ-UHFFFAOYSA-N
XLogP7.22
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.68
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide 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

[3-methyl-4-[[3-[(4-methylphenyl)sulfonylamino]-1-benzofuran-2-yl]-phenylmethyl]-1-phenylpyrazol-5-yl] acetate
CID 156789480
[3-methyl-4-[(3-methylphenyl)-[3-[(4-methylphenyl)sulfonylamino]-1-benzofuran-2-yl]methyl]-1-phenylpyrazol-5-yl] acetate
CID 156789493
N-[2-[(3-chlorophenyl)-(1H-indol-3-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide
CID 155666793
N-[2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide
CID 155666797
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
CID 101455939
3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 132561494
N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 33054641
N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 134953908
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide (CID 175312869) is N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide is COc1ccc(-n2cc(C(c3ccccc3)c3oc4ccccc4c3NS(=O)(=O)c3ccc(C)cc3)c(C)n2)cc1.
What is the InChIKey of N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is NJBDSMHADRFPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O4S/c1-22-13-19-27(20-14-22)41(37,38)35-32-28-11-7-8-12-30(28)40-33(32)31(24-9-5-4-6-10-24)29-21-36(34-23(29)2)25-15-17-26(39-3)18-16-25/h4-21,31,35H,1-3H3.
What are the key properties of N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide?
N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 563.68 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethyl]-1-benzofuran-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175312869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).