N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide

C23H23FN2O5S — CID 43871248

IUPACN-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H23FN2O5S/c1-30-18-10-13-22(31-2)20(15-18)25-23(27)21(14-16-6-4-3-5-7-16)26-32(28,29)19-11-8-17(24)9-12-19/h3-13,15,21,26H,14H2,1-2H3,(H,25,27)
InChIKeyXWOQTPOGXZKKMJ-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.37
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide

N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43871248) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43871248
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H23FN2O5S/c1-30-18-10-13-22(31-2)20(15-18)25-23(27)21(14-16-6-4-3-5-7-16)26-32(28,29)19-11-8-17(24)9-12-19/h3-13,15,21,26H,14H2,1-2H3,(H,25,27)
InChIKeyXWOQTPOGXZKKMJ-UHFFFAOYSA-N
XLogP3.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871247
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 28541028
(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165489
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 30166323
(2S)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538504
(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1058953
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 40932005
(2R)-N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538824
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542319
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 43891365
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,5-difluorophenyl)-3-phenylpropanamide
CID 43871018
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
CID 28540720

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide (CID 43871248) is N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(OC)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is XWOQTPOGXZKKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-30-18-10-13-22(31-2)20(15-18)25-23(27)21(14-16-6-4-3-5-7-16)26-32(28,29)19-11-8-17(24)9-12-19/h3-13,15,21,26H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 458.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43871248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).