1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

C15H20N2O4S — CID 113215603

IUPAC1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)NC3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-21-13-4-2-11(3-5-13)15(7-8-15)17-14(18)16-12-6-9-22(19,20)10-12/h2-5,12H,6-10H2,1H3,(H2,16,17,18)
InChIKeyAYOJGXGFNVZDQC-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.17
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea

1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (PubChem CID 113215603) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
PubChem CID113215603
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)NC3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-21-13-4-2-11(3-5-13)15(7-8-15)17-14(18)16-12-6-9-22(19,20)10-12/h2-5,12H,6-10H2,1H3,(H2,16,17,18)
InChIKeyAYOJGXGFNVZDQC-UHFFFAOYSA-N
XLogP1.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea with MolForge

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Related Compounds

1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea
CID 95307173
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-(1,1-dioxothiolan-3-yl)-N'-(4-methoxyphenyl)oxamide
CID 108502630
1-[(3R)-1,1-dioxothian-3-yl]-3-(4-methoxyphenyl)urea
CID 95628329
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide
CID 75117674
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(4-methoxyphenyl)propanamide
CID 42654840
1-(2-chloro-4-methoxyphenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 95239873
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)thiourea
CID 40785237
4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 39342660
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 129367897
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
(E)-N-(1,1-dioxothiolan-3-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 17466276

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (CID 113215603) is 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is COc1ccc(C2(NC(=O)NC3CCS(=O)(=O)C3)CC2)cc1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The InChIKey is AYOJGXGFNVZDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-21-13-4-2-11(3-5-13)15(7-8-15)17-14(18)16-12-6-9-22(19,20)10-12/h2-5,12H,6-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea has a molecular weight of 324.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).