1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea

C19H24N4O2S — CID 8617463

IUPAC1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
SMILESCOc1ccc(NCC(=O)NNC(=S)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13(2)14-4-6-16(7-5-14)21-19(26)23-22-18(24)12-20-15-8-10-17(25-3)11-9-15/h4-11,13,20H,12H2,1-3H3,(H,22,24)(H2,21,23,26)
InChIKeyMYTODGDWYTXMQP-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.25
Rot. Bonds6

About 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea

1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 8617463) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
PubChem CID8617463
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
SMILESCOc1ccc(NCC(=O)NNC(=S)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13(2)14-4-6-16(7-5-14)21-19(26)23-22-18(24)12-20-15-8-10-17(25-3)11-9-15/h4-11,13,20H,12H2,1-3H3,(H,22,24)(H2,21,23,26)
InChIKeyMYTODGDWYTXMQP-UHFFFAOYSA-N
XLogP3.25
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-nitrophenyl)thiourea
CID 8617564
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 8617470
1-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 972265
1-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9158071
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(2-methoxyethyl)thiourea
CID 8617417
(E)-N-[(4-methoxyphenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 45006533
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
1-[3-(dimethylamino)propanoylamino]-3-(4-methoxyphenyl)thiourea
CID 8682715
2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 55351010
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]acetyl]amino]-3-phenylthiourea
CID 3930361

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea (CID 8617463) is 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea is COc1ccc(NCC(=O)NNC(=S)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is MYTODGDWYTXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13(2)14-4-6-16(7-5-14)21-19(26)23-22-18(24)12-20-15-8-10-17(25-3)11-9-15/h4-11,13,20H,12H2,1-3H3,(H,22,24)(H2,21,23,26).
What are the key properties of 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea?
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 372.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8617463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).