N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide

C22H19ClN4OS — CID 70811207

IUPACN-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc3cccnc3n2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C22H19ClN4OS/c1-14-10-11-18(17(23)13-14)25-21(28)15(2)29-22-26-19-9-6-12-24-20(19)27(22)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,25,28)
InChIKeyUQQNYWQPNUTUEE-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.50
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide

N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide (PubChem CID 70811207) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide
PubChem CID70811207
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc3cccnc3n2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C22H19ClN4OS/c1-14-10-11-18(17(23)13-14)25-21(28)15(2)29-22-26-19-9-6-12-24-20(19)27(22)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,25,28)
InChIKeyUQQNYWQPNUTUEE-UHFFFAOYSA-N
XLogP5.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-methylphenyl)propanamide
CID 70695921
N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 4282090
N-(2,5-dimethylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23743285
(2R)-N-(2-chloro-4-methylphenyl)-2-[1-[4-(2-morpholin-4-ylethyl)phenyl]benzimidazol-2-yl]sulfanylpropanamide
CID 90069180
N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 55752307
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55475510
N-(5-chloro-2-methylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23743281
N-(2-chloro-4-methylphenyl)-2-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 70811209
N-naphthalen-1-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23970506
N-(2,4-difluorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 43014223
N-(2-chloro-4-fluorophenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16533066
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23886561

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide (CID 70811207) is N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide is Cc1ccc(NC(=O)C(C)Sc2nc3cccnc3n2-c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide?
The InChIKey is UQQNYWQPNUTUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c1-14-10-11-18(17(23)13-14)25-21(28)15(2)29-22-26-19-9-6-12-24-20(19)27(22)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,25,28).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide?
N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide has a molecular weight of 422.94 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 70811207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).