1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

C17H20ClN3O2S — CID 4963404

IUPAC1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESO=C(NCC(c1cccs1)N1CCOCC1)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-1-2-5-14(13)20-17(22)19-12-15(16-6-3-11-24-16)21-7-9-23-10-8-21/h1-6,11,15H,7-10,12H2,(H2,19,20,22)
InChIKeyBFDHJFRRBONXFK-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (PubChem CID 4963404) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
PubChem CID4963404
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESO=C(NCC(c1cccs1)N1CCOCC1)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-1-2-5-14(13)20-17(22)19-12-15(16-6-3-11-24-16)21-7-9-23-10-8-21/h1-6,11,15H,7-10,12H2,(H2,19,20,22)
InChIKeyBFDHJFRRBONXFK-UHFFFAOYSA-N
XLogP3.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (CID 4963404) is 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is O=C(NCC(c1cccs1)N1CCOCC1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The InChIKey is BFDHJFRRBONXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-13-4-1-2-5-14(13)20-17(22)19-12-15(16-6-3-11-24-16)21-7-9-23-10-8-21/h1-6,11,15H,7-10,12H2,(H2,19,20,22).
What are the key properties of 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea has a molecular weight of 365.89 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 4963404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).