N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide

C15H22N2O2S — CID 64648380

IUPACN-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
SMILESCCNC1CCOCC1Sc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O2S/c1-3-16-14-8-9-19-10-15(14)20-13-6-4-12(5-7-13)17-11(2)18/h4-7,14-16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyGHHRQNWITNQJAT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.50
Rot. Bonds5

About N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide

N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide (PubChem CID 64648380) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
PubChem CID64648380
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
SMILESCCNC1CCOCC1Sc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O2S/c1-3-16-14-8-9-19-10-15(14)20-13-6-4-12(5-7-13)17-11(2)18/h4-7,14-16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyGHHRQNWITNQJAT-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide (CID 64648380) is N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide is CCNC1CCOCC1Sc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide?
The InChIKey is GHHRQNWITNQJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-16-14-8-9-19-10-15(14)20-13-6-4-12(5-7-13)17-11(2)18/h4-7,14-16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide?
N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 64648380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).