1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea

C18H22N2OS — CID 150953612

IUPAC1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(C(=O)N(Cc1cccs1)C1CCCC1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-19(15-8-3-2-4-9-15)18(21)20(16-10-5-6-11-16)14-17-12-7-13-22-17/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3
InChIKeyLKPUHTWBXFFURA-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.75
Rot. Bonds4

About 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea

1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 150953612) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
PubChem CID150953612
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(C(=O)N(Cc1cccs1)C1CCCC1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-19(15-8-3-2-4-9-15)18(21)20(16-10-5-6-11-16)14-17-12-7-13-22-17/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3
InChIKeyLKPUHTWBXFFURA-UHFFFAOYSA-N
XLogP4.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
CID 61449309
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea (CID 150953612) is 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea is CN(C(=O)N(Cc1cccs1)C1CCCC1)c1ccccc1.
What is the InChIKey of 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is LKPUHTWBXFFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-19(15-8-3-2-4-9-15)18(21)20(16-10-5-6-11-16)14-17-12-7-13-22-17/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3.
What are the key properties of 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea?
1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 314.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 150953612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).