1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

C20H25N3O2S — CID 49119455

IUPAC1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccccc2CN2CCSCC2)c1
InChIInChI=1S/C20H25N3O2S/c1-25-18-7-4-5-16(13-18)14-21-20(24)22-19-8-3-2-6-17(19)15-23-9-11-26-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,24)
InChIKeyOHDBJUFIPXFCEO-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.57
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea (PubChem CID 49119455) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
PubChem CID49119455
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccccc2CN2CCSCC2)c1
InChIInChI=1S/C20H25N3O2S/c1-25-18-7-4-5-16(13-18)14-21-20(24)22-19-8-3-2-6-17(19)15-23-9-11-26-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,24)
InChIKeyOHDBJUFIPXFCEO-UHFFFAOYSA-N
XLogP3.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119029
1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603716
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
(E)-3-(3-methoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 49008882
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea (CID 49119455) is 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea is COc1cccc(CNC(=O)Nc2ccccc2CN2CCSCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The InChIKey is OHDBJUFIPXFCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-25-18-7-4-5-16(13-18)14-21-20(24)22-19-8-3-2-6-17(19)15-23-9-11-26-12-10-23/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea has a molecular weight of 371.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 49119455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).