1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea

C18H20N2O3S — CID 97082977

IUPAC1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea
SMILESO=C(NC[C@H]1CCCS1(=O)=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(19-13-15-9-6-12-24(15,22)23)20-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,19,20,21)/t15-/m1/s1
InChIKeyQUVMURSFAMIGPB-OAHLLOKOSA-N
MW344.44 g/mol
LogP3.05
Rot. Bonds4

About 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea

1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea (PubChem CID 97082977) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea
PubChem CID97082977
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea
SMILESO=C(NC[C@H]1CCCS1(=O)=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(19-13-15-9-6-12-24(15,22)23)20-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,19,20,21)/t15-/m1/s1
InChIKeyQUVMURSFAMIGPB-OAHLLOKOSA-N
XLogP3.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminophenyl)-3-[(1,1-dioxothiolan-2-yl)methyl]urea
CID 81039941
phenyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046250
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid
CID 145294233
2-[(1,1-dioxothian-2-yl)methylcarbamoylamino]acetic acid
CID 117235113
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
3-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
CID 99788559
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 81039815
1-[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 81043035

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea (CID 97082977) is 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea is O=C(NC[C@H]1CCCS1(=O)=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
The InChIKey is QUVMURSFAMIGPB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(19-13-15-9-6-12-24(15,22)23)20-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,19,20,21)/t15-/m1/s1.
What are the key properties of 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea?
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea has a molecular weight of 344.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 97082977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).