1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea

C19H20N2O2S — CID 51390206

IUPAC1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
SMILESO=C(c1ccccc1)c1ccccc1NC(=S)NC[C@H]1CCCO1
InChIInChI=1S/C19H20N2O2S/c22-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)21-19(24)20-13-15-9-6-12-23-15/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyDSGWOIWUPVBSNM-OAHLLOKOSA-N
MW340.45 g/mol
LogP3.38
Rot. Bonds5

About 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea

1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea (PubChem CID 51390206) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea.

Molecular Properties

Compound Name1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
PubChem CID51390206
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
SMILESO=C(c1ccccc1)c1ccccc1NC(=S)NC[C@H]1CCCO1
InChIInChI=1S/C19H20N2O2S/c22-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)21-19(24)20-13-15-9-6-12-23-15/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyDSGWOIWUPVBSNM-OAHLLOKOSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-benzoylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51390207
N-(oxolan-2-ylmethyl)-2-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 4935553
1-(2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 886428
1-(2-aminophenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 131865654
1-[[(2R)-oxolan-2-yl]methyl]-3-[(2-phenylacetyl)amino]thiourea
CID 27038823
2-[(2-chlorobenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935508
1-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2910234
1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
CID 51455340
1-[(2-chlorobenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 47102501
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
1-benzyl-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
CID 2448710
4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]benzoic acid
CID 1133426

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The IUPAC name of 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea (CID 51390206) is 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea.
What is the SMILES notation for 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The canonical SMILES for 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea is O=C(c1ccccc1)c1ccccc1NC(=S)NC[C@H]1CCCO1.
What is the InChIKey of 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The InChIKey is DSGWOIWUPVBSNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)21-19(24)20-13-15-9-6-12-23-15/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea has a molecular weight of 340.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea is sourced from PubChem (CID 51390206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).