2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

C19H20ClN5O2S — CID 7624263

IUPAC2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H20ClN5O2S/c1-11-4-5-12(2)14(6-11)22-16(26)9-25(3)17(27)10-28-19-23-15-7-13(20)8-21-18(15)24-19/h4-8H,9-10H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyJHZSHHQUGYKDHW-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.42
Rot. Bonds6

About 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 7624263) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID7624263
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC Name2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H20ClN5O2S/c1-11-4-5-12(2)14(6-11)22-16(26)9-25(3)17(27)10-28-19-23-15-7-13(20)8-21-18(15)24-19/h4-8H,9-10H2,1-3H3,(H,22,26)(H,21,23,24)
InChIKeyJHZSHHQUGYKDHW-UHFFFAOYSA-N
XLogP3.42
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7624339
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2048600
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7816336
2-[methyl-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2522726
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 7624317
2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 4822719
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 2045265
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7624406
2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 7225853
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (CID 7624263) is 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c1.
What is the InChIKey of 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is JHZSHHQUGYKDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S/c1-11-4-5-12(2)14(6-11)22-16(26)9-25(3)17(27)10-28-19-23-15-7-13(20)8-21-18(15)24-19/h4-8H,9-10H2,1-3H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 417.92 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7624263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).