2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H20N4O4S2 — CID 26835635

IUPAC2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc2oc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n1
InChIInChI=1S/C19H20N4O4S2/c1-13-4-9-16-18(20-13)22-19(27-16)28-12-17(24)21-14-5-7-15(8-6-14)29(25,26)23-10-2-3-11-23/h4-9H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyYELQTRSATJAPHL-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.05
Rot. Bonds6

About 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 26835635) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID26835635
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc2oc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n1
InChIInChI=1S/C19H20N4O4S2/c1-13-4-9-16-18(20-13)22-19(27-16)28-12-17(24)21-14-5-7-15(8-6-14)29(25,26)23-10-2-3-11-23/h4-9H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyYELQTRSATJAPHL-UHFFFAOYSA-N
XLogP3.05
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 22587638
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 23797203
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3173793
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2562940
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 649171
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4005742
2-(4-nitrophenyl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2121931
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108800741
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 26918025
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 1140841
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1140739

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 26835635) is 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1ccc2oc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n1.
What is the InChIKey of 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is YELQTRSATJAPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13-4-9-16-18(20-13)22-19(27-16)28-12-17(24)21-14-5-7-15(8-6-14)29(25,26)23-10-2-3-11-23/h4-9H,2-3,10-12H2,1H3,(H,21,24).
What are the key properties of 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 432.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 26835635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).