1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea

C19H23BrClN3O2S — CID 112820227

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NCCc1ccc(Br)s1)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C19H23BrClN3O2S/c20-18-6-5-14(27-18)7-8-22-19(25)23-13-17(24-9-11-26-12-10-24)15-3-1-2-4-16(15)21/h1-6,17H,7-13H2,(H2,22,23,25)
InChIKeyGBFJPZIUMNBDIU-UHFFFAOYSA-N
MW472.84 g/mol
LogP4.08
Rot. Bonds7

About 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea

1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea (PubChem CID 112820227) has the molecular formula C19H23BrClN3O2S and a molecular weight of 472.84 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea
PubChem CID112820227
Molecular FormulaC19H23BrClN3O2S
Molecular Weight472.84 g/mol
Exact Mass471.04
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NCCc1ccc(Br)s1)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C19H23BrClN3O2S/c20-18-6-5-14(27-18)7-8-22-19(25)23-13-17(24-9-11-26-12-10-24)15-3-1-2-4-16(15)21/h1-6,17H,7-13H2,(H2,22,23,25)
InChIKeyGBFJPZIUMNBDIU-UHFFFAOYSA-N
XLogP4.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.84
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea with MolForge

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Related Compounds

5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961
5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 43064529
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350367
1-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111898307
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea (CID 112820227) is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea is O=C(NCCc1ccc(Br)s1)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea?
The InChIKey is GBFJPZIUMNBDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrClN3O2S/c20-18-6-5-14(27-18)7-8-22-19(25)23-13-17(24-9-11-26-12-10-24)15-3-1-2-4-16(15)21/h1-6,17H,7-13H2,(H2,22,23,25).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea?
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea has a molecular weight of 472.84 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 112820227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).