N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide

C25H28N2O4S — CID 90497581

IUPACN-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)24(28)27-22-13-15-23(16-14-22)32(30,31)26-17-25(3,29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16,18,26,29H,17H2,1-3H3,(H,27,28)
InChIKeyFPYOTYLFIKYUMS-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.13
Rot. Bonds8

About N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide

N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 90497581) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID90497581
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)24(28)27-22-13-15-23(16-14-22)32(30,31)26-17-25(3,29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16,18,26,29H,17H2,1-3H3,(H,27,28)
InChIKeyFPYOTYLFIKYUMS-UHFFFAOYSA-N
XLogP4.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
tert-butyl 2-[[4-(2-methylpropanoylamino)phenyl]sulfonylamino]acetate
CID 22456229
N-[4-[(3-hydroxy-4,4-dimethylpentyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 90523543
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951794
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
2-[[4-(2-phenylpropanoylamino)phenyl]sulfonylamino]acetic acid
CID 22456362

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide (CID 90497581) is N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is FPYOTYLFIKYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18(2)24(28)27-22-13-15-23(16-14-22)32(30,31)26-17-25(3,29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16,18,26,29H,17H2,1-3H3,(H,27,28).
What are the key properties of N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 452.58 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 90497581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).