3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea

C19H24N2O2S — CID 99697990

IUPAC3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-15(14-24(3)23)21(2)19(22)20-18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)/t15-,24-/m0/s1
InChIKeyBZXSFVLUWATCIA-OWJWWREXSA-N
MW344.48 g/mol
LogP3.51
Rot. Bonds6

About 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea

3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea (PubChem CID 99697990) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea.

Molecular Properties

Compound Name3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
PubChem CID99697990
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-15(14-24(3)23)21(2)19(22)20-18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)/t15-,24-/m0/s1
InChIKeyBZXSFVLUWATCIA-OWJWWREXSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-diethylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697996
3-[3-(dimethylamino)-2-methylphenyl]-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99587862
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 91649335
3-[4-(dimethylamino)-2,6-dimethylphenyl]-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 102561817
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
3-(4-ethyl-3-fluorophenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99581371

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The IUPAC name of 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea (CID 99697990) is 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea.
What is the SMILES notation for 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The canonical SMILES for 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea is C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The InChIKey is BZXSFVLUWATCIA-OWJWWREXSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(14-24(3)23)21(2)19(22)20-18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)/t15-,24-/m0/s1.
What are the key properties of 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea has a molecular weight of 344.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea is sourced from PubChem (CID 99697990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).