N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide

C21H19ClN4O3S — CID 139513253

IUPACN-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN4O3S/c22-16-10-15(12-23-13-16)14-4-6-17(7-5-14)25-21(27)11-18-2-1-3-20(24-18)26-30(28,29)19-8-9-19/h1-7,10,12-13,19H,8-9,11H2,(H,24,26)(H,25,27)
InChIKeyCZKAKYZHKDMGGO-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.88
Rot. Bonds7

About N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide

N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide (PubChem CID 139513253) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
PubChem CID139513253
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC NameN-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN4O3S/c22-16-10-15(12-23-13-16)14-4-6-17(7-5-14)25-21(27)11-18-2-1-3-20(24-18)26-30(28,29)19-8-9-19/h1-7,10,12-13,19H,8-9,11H2,(H,24,26)(H,25,27)
InChIKeyCZKAKYZHKDMGGO-UHFFFAOYSA-N
XLogP3.88
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
CID 171348556
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-phenylphenyl)acetamide
CID 171343778
N-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-fluorobutanamide
CID 139510191
2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
CID 139515478
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
2-(2-chlorophenyl)-N-[3-(5-chloro-3-pyridinyl)-5-sulfamoylphenyl]acetamide
CID 134588591
2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide
CID 138701205
N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
CID 138673927
2-(3-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668471
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide (CID 139513253) is N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide is O=C(Cc1cccc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2cncc(Cl)c2)cc1.
What is the InChIKey of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide?
The InChIKey is CZKAKYZHKDMGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c22-16-10-15(12-23-13-16)14-4-6-17(7-5-14)25-21(27)11-18-2-1-3-20(24-18)26-30(28,29)19-8-9-19/h1-7,10,12-13,19H,8-9,11H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide?
N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide has a molecular weight of 442.93 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 139513253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).