N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide

C14H18N2O3S — CID 63556653

IUPACN-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide
SMILESNC(=S)c1ccc(NC(=O)CCOC2CCOC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-14(20)10-1-3-11(4-2-10)16-13(17)6-8-19-12-5-7-18-9-12/h1-4,12H,5-9H2,(H2,15,20)(H,16,17)
InChIKeyZXYNKYOFNMCYFM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.45
Rot. Bonds6

About N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide

N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide (PubChem CID 63556653) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide
PubChem CID63556653
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide
SMILESNC(=S)c1ccc(NC(=O)CCOC2CCOC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-14(20)10-1-3-11(4-2-10)16-13(17)6-8-19-12-5-7-18-9-12/h1-4,12H,5-9H2,(H2,15,20)(H,16,17)
InChIKeyZXYNKYOFNMCYFM-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'}

Analyze N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamothioylphenyl)-3-(oxan-4-yloxy)propanamide
CID 61287787
N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
4-[2-(oxolan-3-yloxy)ethoxy]benzenecarbothioamide
CID 63557243
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(4-acetylphenyl)-3-piperidin-4-yloxypropanamide
CID 63905254
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
CID 102605608
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80714281

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide (CID 63556653) is N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide is NC(=S)c1ccc(NC(=O)CCOC2CCOC2)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide?
The InChIKey is ZXYNKYOFNMCYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-14(20)10-1-3-11(4-2-10)16-13(17)6-8-19-12-5-7-18-9-12/h1-4,12H,5-9H2,(H2,15,20)(H,16,17).
What are the key properties of N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide?
N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide 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-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide is sourced from PubChem (CID 63556653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).