1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea

C18H22BrN3O2S — CID 112818589

IUPAC1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESO=C(NCc1ccc(Br)s1)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H22BrN3O2S/c19-17-7-6-15(25-17)12-20-18(23)21-16(14-4-2-1-3-5-14)13-22-8-10-24-11-9-22/h1-7,16H,8-13H2,(H2,20,21,23)
InChIKeyAKKKWKKCPLVPAJ-UHFFFAOYSA-N
MW424.36 g/mol
LogP3.38
Rot. Bonds6

About 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea

1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea (PubChem CID 112818589) has the molecular formula C18H22BrN3O2S and a molecular weight of 424.36 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
PubChem CID112818589
Molecular FormulaC18H22BrN3O2S
Molecular Weight424.36 g/mol
Exact Mass423.06
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESO=C(NCc1ccc(Br)s1)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H22BrN3O2S/c19-17-7-6-15(25-17)12-20-18(23)21-16(14-4-2-1-3-5-14)13-22-8-10-24-11-9-22/h1-7,16H,8-13H2,(H2,20,21,23)
InChIKeyAKKKWKKCPLVPAJ-UHFFFAOYSA-N
XLogP3.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea with MolForge

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Related Compounds

4-[(5-bromothiophen-2-yl)methyl]-N-(2-morpholin-4-yl-1-phenylethyl)piperazine-1-carboxamide
CID 112818030
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
(2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-phenylacetic acid
CID 103995699
1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 78860899
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314
1-(2-morpholin-4-yl-1-phenylethyl)-3-(2-naphthalen-2-yloxyethyl)urea
CID 112817994
1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 124626389
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea (CID 112818589) is 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea is O=C(NCc1ccc(Br)s1)NC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The InChIKey is AKKKWKKCPLVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2S/c19-17-7-6-15(25-17)12-20-18(23)21-16(14-4-2-1-3-5-14)13-22-8-10-24-11-9-22/h1-7,16H,8-13H2,(H2,20,21,23).
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea has a molecular weight of 424.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea is sourced from PubChem (CID 112818589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).