1-[(4-methoxybenzoyl)amino]-3-phenylthiourea

C15H15N3O2S — CID 2306768

IUPAC1-[(4-methoxybenzoyl)amino]-3-phenylthiourea
SMILESCOc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-9-7-11(8-10-13)14(19)17-18-15(21)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyZXTQBJSOXBDTSR-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.33
Rot. Bonds3

About 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea

1-[(4-methoxybenzoyl)amino]-3-phenylthiourea (PubChem CID 2306768) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(4-methoxybenzoyl)amino]-3-phenylthiourea
PubChem CID2306768
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-[(4-methoxybenzoyl)amino]-3-phenylthiourea
SMILESCOc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-9-7-11(8-10-13)14(19)17-18-15(21)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyZXTQBJSOXBDTSR-UHFFFAOYSA-N
XLogP2.33
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea (CID 2306768) is 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea is COc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea?
The InChIKey is ZXTQBJSOXBDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-13-9-7-11(8-10-13)14(19)17-18-15(21)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)(H2,16,18,21).
What are the key properties of 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea?
1-[(4-methoxybenzoyl)amino]-3-phenylthiourea has a molecular weight of 301.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxybenzoyl)amino]-3-phenylthiourea is sourced from PubChem (CID 2306768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).