1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea

C21H26ClN3O2S — CID 86882877

IUPAC1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
SMILESCSc1ccc(CNC(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H26ClN3O2S/c1-28-19-7-5-16(6-8-19)14-23-21(26)24-15-20(25-9-11-27-12-10-25)17-3-2-4-18(22)13-17/h2-8,13,20H,9-12,14-15H2,1H3,(H2,23,24,26)
InChIKeyRUFFXRTWIWIRSY-UHFFFAOYSA-N
MW419.98 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea

1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea (PubChem CID 86882877) has the molecular formula C21H26ClN3O2S and a molecular weight of 419.98 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
PubChem CID86882877
Molecular FormulaC21H26ClN3O2S
Molecular Weight419.98 g/mol
Exact Mass419.14
IUPAC Name1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
SMILESCSc1ccc(CNC(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H26ClN3O2S/c1-28-19-7-5-16(6-8-19)14-23-21(26)24-15-20(25-9-11-27-12-10-25)17-3-2-4-18(22)13-17/h2-8,13,20H,9-12,14-15H2,1H3,(H2,23,24,26)
InChIKeyRUFFXRTWIWIRSY-UHFFFAOYSA-N
XLogP3.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
CID 30521535
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 30834737
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
1-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylguanidine
CID 99845927
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea (CID 86882877) is 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea is CSc1ccc(CNC(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)cc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea?
The InChIKey is RUFFXRTWIWIRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2S/c1-28-19-7-5-16(6-8-19)14-23-21(26)24-15-20(25-9-11-27-12-10-25)17-3-2-4-18(22)13-17/h2-8,13,20H,9-12,14-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea?
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea has a molecular weight of 419.98 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea is sourced from PubChem (CID 86882877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).