1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea

C14H22ClN3O2S — CID 53499989

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H22ClN3O2S/c1-11(10-18-6-8-20-9-7-18)17-14(19)16-5-4-12-2-3-13(15)21-12/h2-3,11H,4-10H2,1H3,(H2,16,17,19)
InChIKeyACCWRQWJLGFWPH-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea (PubChem CID 53499989) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
PubChem CID53499989
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H22ClN3O2S/c1-11(10-18-6-8-20-9-7-18)17-14(19)16-5-4-12-2-3-13(15)21-12/h2-3,11H,4-10H2,1H3,(H2,16,17,19)
InChIKeyACCWRQWJLGFWPH-UHFFFAOYSA-N
XLogP1.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea (CID 53499989) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea is CC(CN1CCOCC1)NC(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is ACCWRQWJLGFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-11(10-18-6-8-20-9-7-18)17-14(19)16-5-4-12-2-3-13(15)21-12/h2-3,11H,4-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 331.87 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 53499989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).