1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C16H21N3O2S — CID 111443346

IUPAC1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCN(C)c1ccccc1NC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H21N3O2S/c1-3-19(2)14-7-5-4-6-13(14)18-16(21)17-10-15(20)12-8-9-22-11-12/h4-9,11,15,20H,3,10H2,1-2H3,(H2,17,18,21)
InChIKeySDBJOSTXWLMTQE-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.06
Rot. Bonds6

About 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111443346) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111443346
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCN(C)c1ccccc1NC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C16H21N3O2S/c1-3-19(2)14-7-5-4-6-13(14)18-16(21)17-10-15(20)12-8-9-22-11-12/h4-9,11,15,20H,3,10H2,1-2H3,(H2,17,18,21)
InChIKeySDBJOSTXWLMTQE-UHFFFAOYSA-N
XLogP3.06
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)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
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 111443137
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440796
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
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-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111443346) is 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CCN(C)c1ccccc1NC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is SDBJOSTXWLMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-19(2)14-7-5-4-6-13(14)18-16(21)17-10-15(20)12-8-9-22-11-12/h4-9,11,15,20H,3,10H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 319.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111443346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).