1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea

C16H20N2O2S — CID 61438232

IUPAC1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-18(11-15-5-4-10-21-15)16(20)17-14-8-6-13(7-9-14)12(2)19/h4-10,12,19H,3,11H2,1-2H3,(H,17,20)
InChIKeySAUJNAASZMJMDZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.86
Rot. Bonds5

About 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea

1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 61438232) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID61438232
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-18(11-15-5-4-10-21-15)16(20)17-14-8-6-13(7-9-14)12(2)19/h4-10,12,19H,3,11H2,1-2H3,(H,17,20)
InChIKeySAUJNAASZMJMDZ-UHFFFAOYSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
3-[3-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438322
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8718457
3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 22510485
N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
CID 155945653
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966393
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea (CID 61438232) is 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea is CCN(Cc1cccs1)C(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is SAUJNAASZMJMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-18(11-15-5-4-10-21-15)16(20)17-14-8-6-13(7-9-14)12(2)19/h4-10,12,19H,3,11H2,1-2H3,(H,17,20).
What are the key properties of 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea?
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 61438232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).