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

C16H24N2O3S — CID 95316137

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea
SMILESCc1ccccc1CC(C)(C)NC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O3S/c1-12-6-4-5-7-13(12)10-16(2,3)18-15(19)17-14-8-9-22(20,21)11-14/h4-7,14H,8-11H2,1-3H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyNNWVLWOAJYEEMU-CQSZACIVSA-N
MW324.45 g/mol
LogP1.80
Rot. Bonds4

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

1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea (PubChem CID 95316137) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea
PubChem CID95316137
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea
SMILESCc1ccccc1CC(C)(C)NC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O3S/c1-12-6-4-5-7-13(12)10-16(2,3)18-15(19)17-14-8-9-22(20,21)11-14/h4-7,14H,8-11H2,1-3H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyNNWVLWOAJYEEMU-CQSZACIVSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]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

N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110600989
1-N'-(1,1-dioxothiolan-3-yl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974923
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
CID 102566980
2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975956
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108964648
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-4-methylbenzoic acid
CID 61182175
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
CID 47016194

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea (CID 95316137) is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea is Cc1ccccc1CC(C)(C)NC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea?
The InChIKey is NNWVLWOAJYEEMU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-6-4-5-7-13(12)10-16(2,3)18-15(19)17-14-8-9-22(20,21)11-14/h4-7,14H,8-11H2,1-3H3,(H2,17,18,19)/t14-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea?
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea has a molecular weight of 324.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea is sourced from PubChem (CID 95316137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).