1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea

C19H24N2O4S — CID 87639182

IUPAC1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea
SMILESCOc1ccccc1OCCCCCOc1cccc(N(S)C(N)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-23-17-10-3-4-11-18(17)25-13-6-2-5-12-24-16-9-7-8-15(14-16)21(26)19(20)22/h3-4,7-11,14,26H,2,5-6,12-13H2,1H3,(H2,20,22)
InChIKeyGCXQWRBAYUURRM-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.05
Rot. Bonds10

About 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea

1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea (PubChem CID 87639182) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea.

Molecular Properties

Compound Name1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea
PubChem CID87639182
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea
SMILESCOc1ccccc1OCCCCCOc1cccc(N(S)C(N)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-23-17-10-3-4-11-18(17)25-13-6-2-5-12-24-16-9-7-8-15(14-16)21(26)19(20)22/h3-4,7-11,14,26H,2,5-6,12-13H2,1H3,(H2,20,22)
InChIKeyGCXQWRBAYUURRM-UHFFFAOYSA-N
XLogP4.05
TPSA74.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea 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-[3-[5-(3-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea
CID 87605203
1-[3-[5-(2-chloro-4-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea
CID 87759179
1-[3-(5-isoquinolin-5-yloxypentoxy)phenyl]-1-sulfanylurea
CID 87604001
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-[3-[5-[3-(4-benzylphenyl)-2-oxoimidazolidin-1-yl]pentoxy]phenyl]-1-sulfanylurea
CID 87306839
3-[2-(2-methoxyphenoxy)ethoxy]phenol
CID 39360613
2-[N-(carboxymethyl)-3-[3-(2-methoxyphenoxy)propoxy]-5-octadecoxyanilino]acetic acid
CID 19018977
1-[3-[5-[3-(4-chlorophenyl)-2-sulfanylideneimidazolidin-1-yl]pentoxy]phenyl]-1-sulfanylurea
CID 87306524
3-[2-(2-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 22683307
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea?
The IUPAC name of 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea (CID 87639182) is 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea.
What is the SMILES notation for 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea?
The canonical SMILES for 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea is COc1ccccc1OCCCCCOc1cccc(N(S)C(N)=O)c1.
What is the InChIKey of 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea?
The InChIKey is GCXQWRBAYUURRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-23-17-10-3-4-11-18(17)25-13-6-2-5-12-24-16-9-7-8-15(14-16)21(26)19(20)22/h3-4,7-11,14,26H,2,5-6,12-13H2,1H3,(H2,20,22).
What are the key properties of 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea?
1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea has a molecular weight of 376.48 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-methoxyphenoxy)pentoxy]phenyl]-1-sulfanylurea is sourced from PubChem (CID 87639182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).