N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide

C14H19F2N3OS — CID 106325135

IUPACN-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
SMILESO=C(CNCCN1CCSCC1)Nc1c(F)cccc1F
InChIInChI=1S/C14H19F2N3OS/c15-11-2-1-3-12(16)14(11)18-13(20)10-17-4-5-19-6-8-21-9-7-19/h1-3,17H,4-10H2,(H,18,20)
InChIKeyKNMLNNOQDWKLJK-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.54
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide

N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide (PubChem CID 106325135) has the molecular formula C14H19F2N3OS and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
PubChem CID106325135
Molecular FormulaC14H19F2N3OS
Molecular Weight315.39 g/mol
Exact Mass315.12
IUPAC NameN-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
SMILESO=C(CNCCN1CCSCC1)Nc1c(F)cccc1F
InChIInChI=1S/C14H19F2N3OS/c15-11-2-1-3-12(16)14(11)18-13(20)10-17-4-5-19-6-8-21-9-7-19/h1-3,17H,4-10H2,(H,18,20)
InChIKeyKNMLNNOQDWKLJK-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 600180
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CID 2264867
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide (CID 106325135) is N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide is O=C(CNCCN1CCSCC1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The InChIKey is KNMLNNOQDWKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3OS/c15-11-2-1-3-12(16)14(11)18-13(20)10-17-4-5-19-6-8-21-9-7-19/h1-3,17H,4-10H2,(H,18,20).
What are the key properties of N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide?
N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide has a molecular weight of 315.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 106325135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).