1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea

C25H35N3O4S — CID 56597319

IUPAC1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea
SMILESOC(CNCCNC(=S)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1
InChIInChI=1S/C25H35N3O4S/c29-21(18-26-14-15-27-25(33)28-20-6-2-1-3-7-20)19-32-24-12-10-23(11-13-24)31-17-16-30-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,33)
InChIKeyFHQADBKNXUALCZ-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.34
Rot. Bonds14

About 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea

1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea (PubChem CID 56597319) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea
PubChem CID56597319
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC Name1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea
SMILESOC(CNCCNC(=S)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1
InChIInChI=1S/C25H35N3O4S/c29-21(18-26-14-15-27-25(33)28-20-6-2-1-3-7-20)19-32-24-12-10-23(11-13-24)31-17-16-30-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,33)
InChIKeyFHQADBKNXUALCZ-UHFFFAOYSA-N
XLogP3.34
TPSA84.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea 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

4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide
CID 56597316
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(3-methylphenyl)urea
CID 56599098
1-(3-chlorophenyl)-3-[2-[[(2R)-3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]urea
CID 56598568
N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide
CID 56597590
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
tert-butyl N-[2-[benzyl-[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]carbamate
CID 86698164
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea;hydrochloride
CID 52949022
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea?
The IUPAC name of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea (CID 56597319) is 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea is OC(CNCCNC(=S)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1.
What is the InChIKey of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea?
The InChIKey is FHQADBKNXUALCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c29-21(18-26-14-15-27-25(33)28-20-6-2-1-3-7-20)19-32-24-12-10-23(11-13-24)31-17-16-30-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,33).
What are the key properties of 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea?
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea has a molecular weight of 473.64 g/mol, XLogP of 3.34, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea is sourced from PubChem (CID 56597319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).