1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea

C19H22N2O4S — CID 72887475

IUPAC1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea
SMILESCc1cccc(Oc2ccccc2NC(=O)NCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-5-4-6-16(11-14)25-18-8-3-2-7-17(18)21-19(22)20-12-15-9-10-26(23,24)13-15/h2-8,11,15H,9-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyJGYKFEAZWVLCHJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.34
Rot. Bonds5

About 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea

1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea (PubChem CID 72887475) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea
PubChem CID72887475
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea
SMILESCc1cccc(Oc2ccccc2NC(=O)NCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-5-4-6-16(11-14)25-18-8-3-2-7-17(18)21-19(22)20-12-15-9-10-26(23,24)13-15/h2-8,11,15H,9-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyJGYKFEAZWVLCHJ-UHFFFAOYSA-N
XLogP3.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]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-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[3-(3-methylphenoxy)propyl]urea
CID 94067645
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[3-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]phenyl]urea
CID 102566899
2-(3-bromophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 60507504
1-(3,5-dimethylphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47194881
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
CID 112838266
1-(4-chloro-2-methylphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47031989
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
1-(5-chloro-2-methoxyphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47031961
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
CID 119266448
1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[2-(3-methylphenoxy)phenyl]urea
CID 118761947

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea (CID 72887475) is 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea is Cc1cccc(Oc2ccccc2NC(=O)NCC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea?
The InChIKey is JGYKFEAZWVLCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-5-4-6-16(11-14)25-18-8-3-2-7-17(18)21-19(22)20-12-15-9-10-26(23,24)13-15/h2-8,11,15H,9-10,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea?
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[2-(3-methylphenoxy)phenyl]urea has a molecular weight of 374.46 g/mol, XLogP of 3.34, 5 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)methyl]-3-[2-(3-methylphenoxy)phenyl]urea is sourced from PubChem (CID 72887475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).