1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea

C18H21N3O2S — CID 950308

IUPAC1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea
SMILESCC(C)Oc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2S/c1-13(2)23-16-10-8-14(9-11-16)12-17(22)20-21-18(24)19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,24)
InChIKeyUKHUKDGETOQTNH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.03
Rot. Bonds5

About 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea

1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea (PubChem CID 950308) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea
PubChem CID950308
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea
SMILESCC(C)Oc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2S/c1-13(2)23-16-10-8-14(9-11-16)12-17(22)20-21-18(24)19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,24)
InChIKeyUKHUKDGETOQTNH-UHFFFAOYSA-N
XLogP3.03
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.03
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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Related Compounds

N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 3799684
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235868
1-phenyl-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 39819113
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
CID 3303473
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
CID 3073648
3-[(4-propan-2-yloxyphenyl)carbamothioylamino]propanoic acid
CID 3008622
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
CID 968636
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154881
1-[(2-methylphenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100590551
methyl 2-[4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]phenyl]acetate
CID 3878777

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea?
The IUPAC name of 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea (CID 950308) is 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea.
What is the SMILES notation for 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea?
The canonical SMILES for 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea is CC(C)Oc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea?
The InChIKey is UKHUKDGETOQTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(2)23-16-10-8-14(9-11-16)12-17(22)20-21-18(24)19-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,24).
What are the key properties of 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea?
1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea has a molecular weight of 343.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea is sourced from PubChem (CID 950308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).