1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea

C14H19ClN2O2S — CID 111618399

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NCC1(O)CCSC1
InChIInChI=1S/C14H19ClN2O2S/c15-12-3-1-2-11(8-12)4-6-16-13(18)17-9-14(19)5-7-20-10-14/h1-3,8,19H,4-7,9-10H2,(H2,16,17,18)
InChIKeyHYYCIXNNAGHFTM-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea (PubChem CID 111618399) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
PubChem CID111618399
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NCC1(O)CCSC1
InChIInChI=1S/C14H19ClN2O2S/c15-12-3-1-2-11(8-12)4-6-16-13(18)17-9-14(19)5-7-20-10-14/h1-3,8,19H,4-7,9-10H2,(H2,16,17,18)
InChIKeyHYYCIXNNAGHFTM-UHFFFAOYSA-N
XLogP2.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]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

3-(3-chlorophenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2,2-dimethylpropanamide
CID 97028633
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113214484
2-(3-chlorophenyl)ethylurea
CID 127513466
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546
3-(3-bromophenyl)-N-[(3-hydroxythiolan-3-yl)methyl]propanamide
CID 111597105
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113215461
6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
CID 111596999
1-(1-adamantyl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108896104
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
1-(2-chloro-3-methylphenyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618293
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea (CID 111618399) is 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea is O=C(NCCc1cccc(Cl)c1)NCC1(O)CCSC1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea?
The InChIKey is HYYCIXNNAGHFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-12-3-1-2-11(8-12)4-6-16-13(18)17-9-14(19)5-7-20-10-14/h1-3,8,19H,4-7,9-10H2,(H2,16,17,18).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea has a molecular weight of 314.84 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea is sourced from PubChem (CID 111618399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).