(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

C23H25N3O4S — CID 28539814

IUPAC(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C23H25N3O4S/c1-17-11-12-21(30-2)22(14-17)31(28,29)26-20(15-18-8-4-3-5-9-18)23(27)25-16-19-10-6-7-13-24-19/h3-14,20,26H,15-16H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyHSWQNLPKGQYCIF-HXUWFJFHSA-N
MW439.54 g/mol
LogP2.60
Rot. Bonds9

About (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 28539814) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID28539814
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C23H25N3O4S/c1-17-11-12-21(30-2)22(14-17)31(28,29)26-20(15-18-8-4-3-5-9-18)23(27)25-16-19-10-6-7-13-24-19/h3-14,20,26H,15-16H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyHSWQNLPKGQYCIF-HXUWFJFHSA-N
XLogP2.60
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 43870904
N-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
(2S)-N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540372
N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871149
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28539840
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 43871158
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 28540451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (CID 28539814) is (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is HSWQNLPKGQYCIF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-17-11-12-21(30-2)22(14-17)31(28,29)26-20(15-18-8-4-3-5-9-18)23(27)25-16-19-10-6-7-13-24-19/h3-14,20,26H,15-16H2,1-2H3,(H,25,27)/t20-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 439.54 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 28539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).