1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea

C19H25N3O2S — CID 4247300

IUPAC1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H25N3O2S/c23-19(20-17-6-2-1-3-7-17)22(16-18-8-4-15-25-18)10-5-9-21-11-13-24-14-12-21/h1-4,6-8,15H,5,9-14,16H2,(H,20,23)
InChIKeyHHSGQIIMKXTAAQ-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.50
Rot. Bonds7

About 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea

1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 4247300) has the molecular formula C19H25N3O2S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea
PubChem CID4247300
Molecular FormulaC19H25N3O2S
Molecular Weight359.49 g/mol
Exact Mass359.17
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H25N3O2S/c23-19(20-17-6-2-1-3-7-17)22(16-18-8-4-15-25-18)10-5-9-21-11-13-24-14-12-21/h1-4,6-8,15H,5,9-14,16H2,(H,20,23)
InChIKeyHHSGQIIMKXTAAQ-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea (CID 4247300) is 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea is O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is HHSGQIIMKXTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-19(20-17-6-2-1-3-7-17)22(16-18-8-4-15-25-18)10-5-9-21-11-13-24-14-12-21/h1-4,6-8,15H,5,9-14,16H2,(H,20,23).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea?
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 359.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 4247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).