1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea

C20H26N2O3S — CID 55697423

IUPAC1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1ccc(NC(=O)NC(c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-24-12-13-25-17-10-8-16(9-11-17)21-20(23)22-19(15-5-2-3-6-15)18-7-4-14-26-18/h4,7-11,14-15,19H,2-3,5-6,12-13H2,1H3,(H2,21,22,23)
InChIKeyQPEYENGVQOFWKV-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.83
Rot. Bonds8

About 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea

1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea (PubChem CID 55697423) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
PubChem CID55697423
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1ccc(NC(=O)NC(c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-24-12-13-25-17-10-8-16(9-11-17)21-20(23)22-19(15-5-2-3-6-15)18-7-4-14-26-18/h4,7-11,14-15,19H,2-3,5-6,12-13H2,1H3,(H2,21,22,23)
InChIKeyQPEYENGVQOFWKV-UHFFFAOYSA-N
XLogP4.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-cyclopentyl(thiophen-2-yl)methyl]-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
CID 95575157
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
CID 47031450
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47202620
2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566505
2-(cyclohexylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54816663

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea?
The IUPAC name of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea (CID 55697423) is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea?
The canonical SMILES for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea is COCCOc1ccc(NC(=O)NC(c2cccs2)C2CCCC2)cc1.
What is the InChIKey of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea?
The InChIKey is QPEYENGVQOFWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-24-12-13-25-17-10-8-16(9-11-17)21-20(23)22-19(15-5-2-3-6-15)18-7-4-14-26-18/h4,7-11,14-15,19H,2-3,5-6,12-13H2,1H3,(H2,21,22,23).
What are the key properties of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea?
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea has a molecular weight of 374.51 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea is sourced from PubChem (CID 55697423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).