2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

C22H22FN3O4S — CID 43891317

IUPAC2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C22H22FN3O4S/c1-30-20-10-9-18(23)13-21(20)31(28,29)26-19(12-16-6-3-2-4-7-16)22(27)25-15-17-8-5-11-24-14-17/h2-11,13-14,19,26H,12,15H2,1H3,(H,25,27)
InChIKeyKRXXDGAANJUOFO-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.44
Rot. Bonds9

About 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 43891317) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID43891317
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C22H22FN3O4S/c1-30-20-10-9-18(23)13-21(20)31(28,29)26-19(12-16-6-3-2-4-7-16)22(27)25-15-17-8-5-11-24-14-17/h2-11,13-14,19,26H,12,15H2,1H3,(H,25,27)
InChIKeyKRXXDGAANJUOFO-UHFFFAOYSA-N
XLogP2.44
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide 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-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891290
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28542536
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 43891365
N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891299
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891324
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28538234
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 43871015

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 43891317) is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is KRXXDGAANJUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-30-20-10-9-18(23)13-21(20)31(28,29)26-19(12-16-6-3-2-4-7-16)22(27)25-15-17-8-5-11-24-14-17/h2-11,13-14,19,26H,12,15H2,1H3,(H,25,27).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 443.50 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 43891317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).