2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

C22H22ClN3O4S — CID 43870904

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C22H22ClN3O4S/c1-30-21-11-10-18(14-19(21)23)31(28,29)26-20(13-16-7-3-2-4-8-16)22(27)25-15-17-9-5-6-12-24-17/h2-12,14,20,26H,13,15H2,1H3,(H,25,27)
InChIKeyPQNGXXHYMCTSSN-UHFFFAOYSA-N
MW459.96 g/mol
LogP2.95
Rot. Bonds9

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 43870904) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID43870904
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C22H22ClN3O4S/c1-30-21-11-10-18(14-19(21)23)31(28,29)26-20(13-16-7-3-2-4-8-16)22(27)25-15-17-9-5-6-12-24-17/h2-12,14,20,26H,13,15H2,1H3,(H,25,27)
InChIKeyPQNGXXHYMCTSSN-UHFFFAOYSA-N
XLogP2.95
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 28538957
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874789
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 43871015
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 94860896
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 30166393
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870745
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 30143287
(2S)-N-tert-butyl-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538888
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (CID 43870904) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccccn2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PQNGXXHYMCTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-30-21-11-10-18(14-19(21)23)31(28,29)26-20(13-16-7-3-2-4-8-16)22(27)25-15-17-9-5-6-12-24-17/h2-12,14,20,26H,13,15H2,1H3,(H,25,27).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 459.96 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 43870904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).