N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide

C16H17N5O2S — CID 135647904

IUPACN-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C
InChIInChI=1S/C16H17N5O2S/c1-3-10-6-4-5-7-11(10)19-12(22)8-24-16-20-13-14(21(16)2)17-9-18-15(13)23/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,18,23)
InChIKeyJGNWJKYXIYCHLE-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.95
Rot. Bonds5

About N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide

N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide (PubChem CID 135647904) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide
PubChem CID135647904
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C
InChIInChI=1S/C16H17N5O2S/c1-3-10-6-4-5-7-11(10)19-12(22)8-24-16-20-13-14(21(16)2)17-9-18-15(13)23/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,18,23)
InChIKeyJGNWJKYXIYCHLE-UHFFFAOYSA-N
XLogP1.95
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide
CID 135647949
2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135647944
N-(4-acetylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide
CID 135647940
N-(3-chloro-2-methylphenyl)-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]acetamide
CID 135645448
methyl 2-[[2-[[9-(4-methylphenyl)-6-oxo-1H-purin-8-yl]sulfanyl]acetyl]amino]benzoate
CID 135648014
2-[(9-ethyl-6-oxo-1H-purin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 135969766
N-(2-ethylphenyl)-2-[(4-oxo-3-propyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7386279
N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]acetamide
CID 135645471
N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135439125
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 3215004
N-(2-ethylphenyl)-2-[4-methyl-5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
CID 3646511
N-(2-ethylphenyl)-2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1303761

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide (CID 135647904) is N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide is CCc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C.
What is the InChIKey of N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide?
The InChIKey is JGNWJKYXIYCHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-3-10-6-4-5-7-11(10)19-12(22)8-24-16-20-13-14(21(16)2)17-9-18-15(13)23/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,18,23).
What are the key properties of N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide?
N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(9-methyl-6-oxo-1H-purin-8-yl)sulfanyl]acetamide is sourced from PubChem (CID 135647904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).