1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea

C19H24N2O2S — CID 96562891

IUPAC1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea
SMILESCc1cccc([C@@H](C)CNC(=O)NCc2ccc([S@@](C)=O)cc2)c1
InChIInChI=1S/C19H24N2O2S/c1-14-5-4-6-17(11-14)15(2)12-20-19(22)21-13-16-7-9-18(10-8-16)24(3)23/h4-11,15H,12-13H2,1-3H3,(H2,20,21,22)/t15-,24+/m0/s1
InChIKeyNHDOSLNZWAMFNC-IZHWHUGBSA-N
MW344.48 g/mol
LogP3.34
Rot. Bonds6

About 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea

1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea (PubChem CID 96562891) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea
PubChem CID96562891
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea
SMILESCc1cccc([C@@H](C)CNC(=O)NCc2ccc([S@@](C)=O)cc2)c1
InChIInChI=1S/C19H24N2O2S/c1-14-5-4-6-17(11-14)15(2)12-20-19(22)21-13-16-7-9-18(10-8-16)24(3)23/h4-11,15H,12-13H2,1-3H3,(H2,20,21,22)/t15-,24+/m0/s1
InChIKeyNHDOSLNZWAMFNC-IZHWHUGBSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-[(S)-methylsulfinyl]phenyl]methyl]-3-[(2R)-2-thiophen-2-ylpropyl]urea
CID 97087435
1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea
CID 111459209
1-[3-(1-methoxyethyl)phenyl]-3-[(4-methylsulfinylphenyl)methyl]urea
CID 71860771
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
2-methyl-1-[2-(3-methylphenyl)propyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111660001
N-(2-amino-2-oxoethyl)-4-[[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111660196
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111660115
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
1-[(4-cyanophenyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111659780
N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide
CID 100757668
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(2S)-2-(3-methylphenyl)propyl]urea
CID 129402956

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea?
The IUPAC name of 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea (CID 96562891) is 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea?
The canonical SMILES for 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea is Cc1cccc([C@@H](C)CNC(=O)NCc2ccc([S@@](C)=O)cc2)c1.
What is the InChIKey of 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea?
The InChIKey is NHDOSLNZWAMFNC-IZHWHUGBSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-5-4-6-17(11-14)15(2)12-20-19(22)21-13-16-7-9-18(10-8-16)24(3)23/h4-11,15H,12-13H2,1-3H3,(H2,20,21,22)/t15-,24+/m0/s1.
What are the key properties of 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea?
1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea has a molecular weight of 344.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea is sourced from PubChem (CID 96562891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).