1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea

C21H28N2O2S — CID 43066076

IUPAC1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea
SMILESO=C(NCCCOC1CCCCC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C21H28N2O2S/c24-21(22-14-8-15-25-18-11-5-2-6-12-18)23-20(19-13-7-16-26-19)17-9-3-1-4-10-17/h1,3-4,7,9-10,13,16,18,20H,2,5-6,8,11-12,14-15H2,(H2,22,23,24)
InChIKeyYRNMSTVLMJDIPZ-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.88
Rot. Bonds8

About 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea

1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea (PubChem CID 43066076) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea
PubChem CID43066076
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea
SMILESO=C(NCCCOC1CCCCC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C21H28N2O2S/c24-21(22-14-8-15-25-18-11-5-2-6-12-18)23-20(19-13-7-16-26-19)17-9-3-1-4-10-17/h1,3-4,7,9-10,13,16,18,20H,2,5-6,8,11-12,14-15H2,(H2,22,23,24)
InChIKeyYRNMSTVLMJDIPZ-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide
CID 122556169
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381
N-[(Z)-3-(3-cyclopentyloxypropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100774588
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370
1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
CID 42954660
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
CID 110948758

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea (CID 43066076) is 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea is O=C(NCCCOC1CCCCC1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea?
The InChIKey is YRNMSTVLMJDIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c24-21(22-14-8-15-25-18-11-5-2-6-12-18)23-20(19-13-7-16-26-19)17-9-3-1-4-10-17/h1,3-4,7,9-10,13,16,18,20H,2,5-6,8,11-12,14-15H2,(H2,22,23,24).
What are the key properties of 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea?
1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea has a molecular weight of 372.53 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea is sourced from PubChem (CID 43066076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).