1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea

C19H22N2O2S — CID 99830156

IUPAC1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc([S@](C)=O)cc1
InChIInChI=1S/C19H22N2O2S/c1-21(14-19(12-13-19)15-6-4-3-5-7-15)18(22)20-16-8-10-17(11-9-16)24(2)23/h3-11H,12-14H2,1-2H3,(H,20,22)/t24-/m0/s1
InChIKeyCGOYPORLEXNISN-DEOSSOPVSA-N
MW342.46 g/mol
LogP3.62
Rot. Bonds5

About 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea

1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 99830156) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea
PubChem CID99830156
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc([S@](C)=O)cc1
InChIInChI=1S/C19H22N2O2S/c1-21(14-19(12-13-19)15-6-4-3-5-7-15)18(22)20-16-8-10-17(11-9-16)24(2)23/h3-11H,12-14H2,1-2H3,(H,20,22)/t24-/m0/s1
InChIKeyCGOYPORLEXNISN-DEOSSOPVSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea (CID 99830156) is 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea is CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc([S@](C)=O)cc1.
What is the InChIKey of 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is CGOYPORLEXNISN-DEOSSOPVSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-21(14-19(12-13-19)15-6-4-3-5-7-15)18(22)20-16-8-10-17(11-9-16)24(2)23/h3-11H,12-14H2,1-2H3,(H,20,22)/t24-/m0/s1.
What are the key properties of 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea?
1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 342.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 99830156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).