1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea

C20H19N3O2S — CID 2204649

IUPAC1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NNC(=S)NCc1ccco1
InChIInChI=1S/C20H19N3O2S/c24-19(22-23-20(26)21-14-18-7-4-12-25-18)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12H,13-14H2,(H,22,24)(H2,21,23,26)
InChIKeyLYXUSHHTEQYHOM-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.18
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea

1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea (PubChem CID 2204649) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea
PubChem CID2204649
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NNC(=S)NCc1ccco1
InChIInChI=1S/C20H19N3O2S/c24-19(22-23-20(26)21-14-18-7-4-12-25-18)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12H,13-14H2,(H,22,24)(H2,21,23,26)
InChIKeyLYXUSHHTEQYHOM-UHFFFAOYSA-N
XLogP3.18
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.18
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-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide
CID 1253159
1-[(2,2-Diphenylacetyl)amino]-3-(furan-2-ylmethyl)thiourea
CID 1842917
1-(Furan-2-ylmethyl)-3-(3-methylbutanoylamino)thiourea
CID 2027767
N-{[(2-furylcarbonylamino)amino]thioxomethyl}benzamide
CID 2729195
N1-(2-furylmethyl)-2-[4-(tert-butyl)benzoyl]hydrazine-1-carbothioamide
CID 2743313
N-({2-[(4-propylphenoxy)acetyl]hydrazino}carbothioyl)-2-furamide
CID 1752641
N-[[(4-methylbenzoyl)amino]carbamothioyl]furan-2-carboxamide
CID 3132648
5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione
CID 751623
2-Furancarboxylic acid, 2-(((phenylmethyl)amino)thioxomethyl)hydrazide
CID 865908
1-[(2-Bromobenzoyl)amino]-3-(furan-2-ylmethyl)thiourea
CID 1965046
2-{[1,1'-biphenyl]-4-yl}-N-[(furan-2-yl)methyl]acetamide
CID 2081102
N~1~-butyl-N~2~-{[(2-furylmethyl)(4-methylbenzyl)amino]carbonothioyl}glycinamide
CID 5081810

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea (CID 2204649) is 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea is O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=S)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea?
The InChIKey is LYXUSHHTEQYHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(22-23-20(26)21-14-18-7-4-12-25-18)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12H,13-14H2,(H,22,24)(H2,21,23,26).
What are the key properties of 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea?
1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea has a molecular weight of 365.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]amino]thiourea is sourced from PubChem (CID 2204649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).