2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide

C35H32FN3O6S — CID 133213794

IUPAC2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCc1ccco1)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C35H32FN3O6S/c36-28-13-15-29(16-14-28)38-46(42,43)32-19-17-30(18-20-32)45-25-34(40)39(24-27-10-5-2-6-11-27)33(22-26-8-3-1-4-9-26)35(41)37-23-31-12-7-21-44-31/h1-21,33,38H,22-25H2,(H,37,41)
InChIKeyUXVMCPGKYDISQX-UHFFFAOYSA-N
MW641.72 g/mol
LogP5.55
Rot. Bonds14

About 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide

2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 133213794) has the molecular formula C35H32FN3O6S and a molecular weight of 641.72 g/mol. Its IUPAC name is 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
PubChem CID133213794
Molecular FormulaC35H32FN3O6S
Molecular Weight641.72 g/mol
Exact Mass641.20
IUPAC Name2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCc1ccco1)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C35H32FN3O6S/c36-28-13-15-29(16-14-28)38-46(42,43)32-19-17-30(18-20-32)45-25-34(40)39(24-27-10-5-2-6-11-27)33(22-26-8-3-1-4-9-26)35(41)37-23-31-12-7-21-44-31/h1-21,33,38H,22-25H2,(H,37,41)
InChIKeyUXVMCPGKYDISQX-UHFFFAOYSA-N
XLogP5.55
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.72
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide 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

N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide
CID 133214816
N-ethyl-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide
CID 133214801
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenylpropanamide
CID 133214815
2-[(4-fluorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 133214751
2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214313
2-[[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 133236282
2-[[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 133236284
2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133148647
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236263
2-[(4-chlorophenyl)methyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 133214308
2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 133214238
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665126

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide (CID 133213794) is 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide is O=C(NCc1ccco1)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is UXVMCPGKYDISQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN3O6S/c36-28-13-15-29(16-14-28)38-46(42,43)32-19-17-30(18-20-32)45-25-34(40)39(24-27-10-5-2-6-11-27)33(22-26-8-3-1-4-9-26)35(41)37-23-31-12-7-21-44-31/h1-21,33,38H,22-25H2,(H,37,41).
What are the key properties of 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 641.72 g/mol, XLogP of 5.55, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 133213794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).