1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea

C16H19N3O2S — CID 40648338

IUPAC1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-2-10-17-16(22)19-18-15(20)11-21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,18,20)(H2,17,19,22)
InChIKeyMNIGNEUKMXAKCA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.12
Rot. Bonds5

About 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea

1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea (PubChem CID 40648338) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea.

Molecular Properties

Compound Name1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea
PubChem CID40648338
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-2-10-17-16(22)19-18-15(20)11-21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,18,20)(H2,17,19,22)
InChIKeyMNIGNEUKMXAKCA-UHFFFAOYSA-N
XLogP2.12
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea 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-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513307
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513457
N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4513120
N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4512986
2-bromo-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]benzamide
CID 5088026
(E)-3-(4-ethoxyphenyl)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]prop-2-enamide
CID 17227671
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
CID 4938673
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
2-(4-methoxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 3488640
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544

Frequently Asked Questions

What is the IUPAC name of 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea?
The IUPAC name of 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea (CID 40648338) is 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea.
What is the SMILES notation for 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea?
The canonical SMILES for 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea is CCCNC(=S)NNC(=O)COc1cccc2ccccc12.
What is the InChIKey of 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea?
The InChIKey is MNIGNEUKMXAKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-10-17-16(22)19-18-15(20)11-21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,18,20)(H2,17,19,22).
What are the key properties of 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea?
1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea has a molecular weight of 317.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea is sourced from PubChem (CID 40648338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).