N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

C16H19N3O3S — CID 53130117

IUPACN-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOCCCNC(=O)CSc1nccnc1Oc1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-21-11-5-8-17-14(20)12-23-16-15(18-9-10-19-16)22-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,17,20)
InChIKeyJIQJGZJEWRQIKF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.51
Rot. Bonds9

About N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide

N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (PubChem CID 53130117) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
PubChem CID53130117
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
SMILESCOCCCNC(=O)CSc1nccnc1Oc1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-21-11-5-8-17-14(20)12-23-16-15(18-9-10-19-16)22-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,17,20)
InChIKeyJIQJGZJEWRQIKF-UHFFFAOYSA-N
XLogP2.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130109
N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130093
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
CID 53185077
1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041319
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53130118
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 41193420
2-[[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852085
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 106679306
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide (CID 53130117) is N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is COCCCNC(=O)CSc1nccnc1Oc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
The InChIKey is JIQJGZJEWRQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-11-5-8-17-14(20)12-23-16-15(18-9-10-19-16)22-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,17,20).
What are the key properties of N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide?
N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide has a molecular weight of 333.41 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 53130117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).