N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide

C15H20N2O3S — CID 62384098

IUPACN-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide
SMILESNC(=S)c1cccc(NC(=O)COCC2CCOCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-15(21)12-2-1-3-13(8-12)17-14(18)10-20-9-11-4-6-19-7-5-11/h1-3,8,11H,4-7,9-10H2,(H2,16,21)(H,17,18)
InChIKeySQOSIJBNVUCYND-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.70
Rot. Bonds6

About N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide

N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide (PubChem CID 62384098) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide
PubChem CID62384098
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide
SMILESNC(=S)c1cccc(NC(=O)COCC2CCOCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-15(21)12-2-1-3-13(8-12)17-14(18)10-20-9-11-4-6-19-7-5-11/h1-3,8,11H,4-7,9-10H2,(H2,16,21)(H,17,18)
InChIKeySQOSIJBNVUCYND-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173
2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide
CID 166373779
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846
2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 118763767
N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
CID 39158590

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide (CID 62384098) is N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide is NC(=S)c1cccc(NC(=O)COCC2CCOCC2)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide?
The InChIKey is SQOSIJBNVUCYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-15(21)12-2-1-3-13(8-12)17-14(18)10-20-9-11-4-6-19-7-5-11/h1-3,8,11H,4-7,9-10H2,(H2,16,21)(H,17,18).
What are the key properties of N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide?
N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide has a molecular weight of 308.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(oxan-4-ylmethoxy)acetamide is sourced from PubChem (CID 62384098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).