N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide

C14H18N2O3S — CID 24702582

IUPACN-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESNC(=S)c1ccccc1NC(=O)COCC1CCCO1
InChIInChI=1S/C14H18N2O3S/c15-14(20)11-5-1-2-6-12(11)16-13(17)9-18-8-10-4-3-7-19-10/h1-2,5-6,10H,3-4,7-9H2,(H2,15,20)(H,16,17)
InChIKeyYXFWBQJBNBNKAG-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.45
Rot. Bonds6

About N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide

N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 24702582) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID24702582
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESNC(=S)c1ccccc1NC(=O)COCC1CCCO1
InChIInChI=1S/C14H18N2O3S/c15-14(20)11-5-1-2-6-12(11)16-13(17)9-18-8-10-4-3-7-19-10/h1-2,5-6,10H,3-4,7-9H2,(H2,15,20)(H,16,17)
InChIKeyYXFWBQJBNBNKAG-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.45
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-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287172
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
CID 120603852
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 16605574
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
CID 164642629
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide (CID 24702582) is N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide is NC(=S)c1ccccc1NC(=O)COCC1CCCO1.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is YXFWBQJBNBNKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-14(20)11-5-1-2-6-12(11)16-13(17)9-18-8-10-4-3-7-19-10/h1-2,5-6,10H,3-4,7-9H2,(H2,15,20)(H,16,17).
What are the key properties of N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide?
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 24702582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).