1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea

C18H22N2O3S — CID 95347885

IUPAC1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea
SMILESCOc1cccc(CN(C)C(=O)NCC[S@](=O)c2ccccc2)c1
InChIInChI=1S/C18H22N2O3S/c1-20(14-15-7-6-8-16(13-15)23-2)18(21)19-11-12-24(22)17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)/t24-/m0/s1
InChIKeyYTQADWFELGSXQE-DEOSSOPVSA-N
MW346.45 g/mol
LogP2.64
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea

1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea (PubChem CID 95347885) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea
PubChem CID95347885
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea
SMILESCOc1cccc(CN(C)C(=O)NCC[S@](=O)c2ccccc2)c1
InChIInChI=1S/C18H22N2O3S/c1-20(14-15-7-6-8-16(13-15)23-2)18(21)19-11-12-24(22)17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)/t24-/m0/s1
InChIKeyYTQADWFELGSXQE-DEOSSOPVSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
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1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
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1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
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CID 55472944
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CID 7944505

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea (CID 95347885) is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea is COc1cccc(CN(C)C(=O)NCC[S@](=O)c2ccccc2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea?
The InChIKey is YTQADWFELGSXQE-DEOSSOPVSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-20(14-15-7-6-8-16(13-15)23-2)18(21)19-11-12-24(22)17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)/t24-/m0/s1.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea?
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea has a molecular weight of 346.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea is sourced from PubChem (CID 95347885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).