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

C18H22ClN3O2S — CID 16806640

IUPAC1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2S/c1-13(20-18(23)21-15-5-2-4-14(19)12-15)17(16-6-3-11-25-16)22-7-9-24-10-8-22/h2-6,11-13,17H,7-10H2,1H3,(H2,20,21,23)
InChIKeyKXFMHIHVGCYSHZ-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.98
Rot. Bonds5

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

1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 16806640) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea
PubChem CID16806640
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2S/c1-13(20-18(23)21-15-5-2-4-14(19)12-15)17(16-6-3-11-25-16)22-7-9-24-10-8-22/h2-6,11-13,17H,7-10H2,1H3,(H2,20,21,23)
InChIKeyKXFMHIHVGCYSHZ-UHFFFAOYSA-N
XLogP3.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea (CID 16806640) is 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea is CC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is KXFMHIHVGCYSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-13(20-18(23)21-15-5-2-4-14(19)12-15)17(16-6-3-11-25-16)22-7-9-24-10-8-22/h2-6,11-13,17H,7-10H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea?
1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 379.91 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 16806640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).