3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea

C21H28N2O2S — CID 60614756

IUPAC3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-2-23(16-20-9-6-14-26-20)21(24)22-15-17-10-12-19(13-11-17)25-18-7-4-3-5-8-18/h6,9-14,18H,2-5,7-8,15-16H2,1H3,(H,22,24)
InChIKeyDQQZXFXPIVYOCY-UHFFFAOYSA-N
MW372.53 g/mol
LogP5.19
Rot. Bonds7

About 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea

3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 60614756) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
PubChem CID60614756
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-2-23(16-20-9-6-14-26-20)21(24)22-15-17-10-12-19(13-11-17)25-18-7-4-3-5-8-18/h6,9-14,18H,2-5,7-8,15-16H2,1H3,(H,22,24)
InChIKeyDQQZXFXPIVYOCY-UHFFFAOYSA-N
XLogP5.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(thiophen-2-ylmethyl)-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 52547446
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
3-[(2-cyclopentyloxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 55929307
3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
CID 119312788
1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 52547445
1-ethyl-1-(thiophen-2-ylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 52653379
3-[(4-cyclobutyloxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-1-(2-piperidin-1-ylethyl)urea
CID 156782379
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 113322013
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 1059680
2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119689999
N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060062

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea (CID 60614756) is 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea is CCN(Cc1cccs1)C(=O)NCc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is DQQZXFXPIVYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-2-23(16-20-9-6-14-26-20)21(24)22-15-17-10-12-19(13-11-17)25-18-7-4-3-5-8-18/h6,9-14,18H,2-5,7-8,15-16H2,1H3,(H,22,24).
What are the key properties of 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea?
3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 372.53 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 60614756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).