N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide

C24H25FN2O5S — CID 55576648

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1cc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccccc2F)cc(OC)c1
InChIInChI=1S/C24H25FN2O5S/c1-31-19-12-18(13-20(15-19)32-2)16-26-24(28)22(14-17-8-4-3-5-9-17)27-33(29,30)23-11-7-6-10-21(23)25/h3-13,15,22,27H,14,16H2,1-2H3,(H,26,28)
InChIKeyZUZRZIXFVXRHCV-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.05
Rot. Bonds10

About N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide

N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 55576648) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID55576648
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1cc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccccc2F)cc(OC)c1
InChIInChI=1S/C24H25FN2O5S/c1-31-19-12-18(13-20(15-19)32-2)16-26-24(28)22(14-17-8-4-3-5-9-17)27-33(29,30)23-11-7-6-10-21(23)25/h3-13,15,22,27H,14,16H2,1-2H3,(H,26,28)
InChIKeyZUZRZIXFVXRHCV-UHFFFAOYSA-N
XLogP3.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
(2S)-N-[4-(4-fluorophenoxy)butyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55935368
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
CID 24598971
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
CID 24643173
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55963369
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43891317

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide (CID 55576648) is N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide is COc1cc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccccc2F)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is ZUZRZIXFVXRHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-31-19-12-18(13-20(15-19)32-2)16-26-24(28)22(14-17-8-4-3-5-9-17)27-33(29,30)23-11-7-6-10-21(23)25/h3-13,15,22,27H,14,16H2,1-2H3,(H,26,28).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 472.54 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 55576648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).