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

C16H20N2O2S — CID 109379632

IUPAC1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCc1ccc(C(CO)NC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-12-5-7-13(8-6-12)15(11-19)18-16(20)17-10-14-4-3-9-21-14/h3-9,15,19H,2,10-11H2,1H3,(H2,17,18,20)
InChIKeyVUJYENKMZTUGAX-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.84
Rot. Bonds6

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

1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 109379632) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID109379632
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCc1ccc(C(CO)NC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-12-5-7-13(8-6-12)15(11-19)18-16(20)17-10-14-4-3-9-21-14/h3-9,15,19H,2,10-11H2,1H3,(H2,17,18,20)
InChIKeyVUJYENKMZTUGAX-UHFFFAOYSA-N
XLogP2.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 109389967
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
CID 54782012
1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea
CID 109390070
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea (CID 109379632) is 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea is CCc1ccc(C(CO)NC(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is VUJYENKMZTUGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-12-5-7-13(8-6-12)15(11-19)18-16(20)17-10-14-4-3-9-21-14/h3-9,15,19H,2,10-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea?
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 304.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 109379632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).