(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide

C22H22ClN3O5S — CID 55939550

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H22ClN3O5S/c1-14-4-10-19(20(12-14)30-3)31-21-11-7-17(13-24-21)25-22(27)15(2)26-32(28,29)18-8-5-16(23)6-9-18/h4-13,15,26H,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyJJMXURHEXWTBJU-HNNXBMFYSA-N
MW475.95 g/mol
LogP4.15
Rot. Bonds8

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide (PubChem CID 55939550) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
PubChem CID55939550
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H22ClN3O5S/c1-14-4-10-19(20(12-14)30-3)31-21-11-7-17(13-24-21)25-22(27)15(2)26-32(28,29)18-8-5-16(23)6-9-18/h4-13,15,26H,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyJJMXURHEXWTBJU-HNNXBMFYSA-N
XLogP4.15
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide with MolForge

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Related Compounds

2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
CID 55930463
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41302643
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)propanamide
CID 7318747
1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
CID 55895850
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 5034274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide (CID 55939550) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide is COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
The InChIKey is JJMXURHEXWTBJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c1-14-4-10-19(20(12-14)30-3)31-21-11-7-17(13-24-21)25-22(27)15(2)26-32(28,29)18-8-5-16(23)6-9-18/h4-13,15,26H,1-3H3,(H,25,27)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide has a molecular weight of 475.95 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 55939550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).