N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide

C25H28N2O4S — CID 46764322

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)27-32(29,30)21-15-16-24(31-3)23(17-21)26-25(28)22-12-8-7-11-20(22)14-13-19-9-5-4-6-10-19/h4-12,15-18,27H,13-14H2,1-3H3,(H,26,28)
InChIKeyNFSLATLTGASMGU-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.42
Rot. Bonds9

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide (PubChem CID 46764322) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
PubChem CID46764322
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)27-32(29,30)21-15-16-24(31-3)23(17-21)26-25(28)22-12-8-7-11-20(22)14-13-19-9-5-4-6-10-19/h4-12,15-18,27H,13-14H2,1-3H3,(H,26,28)
InChIKeyNFSLATLTGASMGU-UHFFFAOYSA-N
XLogP4.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30385415
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylmethoxybenzamide
CID 43908166
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 92679928
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27038842

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide (CID 46764322) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide?
The InChIKey is NFSLATLTGASMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18(2)27-32(29,30)21-15-16-24(31-3)23(17-21)26-25(28)22-12-8-7-11-20(22)14-13-19-9-5-4-6-10-19/h4-12,15-18,27H,13-14H2,1-3H3,(H,26,28).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 46764322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).