2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C15H26N4O2S — CID 30942831

IUPAC2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCCn1ccnc1SCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H26N4O2S/c1-4-18-6-5-16-14(18)22-11-13(20)17-12-15(2,3)19-7-9-21-10-8-19/h5-6H,4,7-12H2,1-3H3,(H,17,20)
InChIKeyAPYRBBHVWDBJLQ-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.22
Rot. Bonds7

About 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 30942831) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID30942831
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCCn1ccnc1SCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H26N4O2S/c1-4-18-6-5-16-14(18)22-11-13(20)17-12-15(2,3)19-7-9-21-10-8-19/h5-6H,4,7-12H2,1-3H3,(H,17,20)
InChIKeyAPYRBBHVWDBJLQ-UHFFFAOYSA-N
XLogP1.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 35143895
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46668800
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8917085
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8684087
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 34380670
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8682568
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 51320066
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8799351

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 30942831) is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CCn1ccnc1SCC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is APYRBBHVWDBJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-4-18-6-5-16-14(18)22-11-13(20)17-12-15(2,3)19-7-9-21-10-8-19/h5-6H,4,7-12H2,1-3H3,(H,17,20).
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 326.47 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 30942831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).