1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea

C17H22N2O3S — CID 111443137

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1ccccc1NC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C17H22N2O3S/c1-12(2)10-22-16-6-4-3-5-14(16)19-17(21)18-9-15(20)13-7-8-23-11-13/h3-8,11-12,15,20H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyXZPVTPPPSNFHRN-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.64
Rot. Bonds7

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea (PubChem CID 111443137) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea
PubChem CID111443137
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea
SMILESCC(C)COc1ccccc1NC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C17H22N2O3S/c1-12(2)10-22-16-6-4-3-5-14(16)19-17(21)18-9-15(20)13-7-8-23-11-13/h3-8,11-12,15,20H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyXZPVTPPPSNFHRN-UHFFFAOYSA-N
XLogP3.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)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-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 111473925
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443096
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552
1-(3-butoxyphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443170
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea (CID 111443137) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea is CC(C)COc1ccccc1NC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea?
The InChIKey is XZPVTPPPSNFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12(2)10-22-16-6-4-3-5-14(16)19-17(21)18-9-15(20)13-7-8-23-11-13/h3-8,11-12,15,20H,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea?
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea has a molecular weight of 334.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea is sourced from PubChem (CID 111443137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).