1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea

C20H24N2O4S — CID 156824580

IUPAC1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)CC3CCOC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-2-4-16(5-3-15)12-21-20(23)22-18-6-8-19(9-7-18)27(24,25)14-17-10-11-26-13-17/h2-9,17H,10-14H2,1H3,(H2,21,22,23)
InChIKeyFCJGOFRXUXCCRL-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.13
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea

1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea (PubChem CID 156824580) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
PubChem CID156824580
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)CC3CCOC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-2-4-16(5-3-15)12-21-20(23)22-18-6-8-19(9-7-18)27(24,25)14-17-10-11-26-13-17/h2-9,17H,10-14H2,1H3,(H2,21,22,23)
InChIKeyFCJGOFRXUXCCRL-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213
1-[(2S)-butan-2-yl]-3-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626215
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
2-methoxy-N-(4-methylphenyl)-5-[[(3S)-oxolan-3-yl]methylsulfonyl]benzamide;sulfane
CID 158668141
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733
N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
CID 117032057
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
CID 119047504
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 125179663
2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide
CID 167855535

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea (CID 156824580) is 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea is Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)CC3CCOC3)cc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea?
The InChIKey is FCJGOFRXUXCCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-2-4-16(5-3-15)12-21-20(23)22-18-6-8-19(9-7-18)27(24,25)14-17-10-11-26-13-17/h2-9,17H,10-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea?
1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea has a molecular weight of 388.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea is sourced from PubChem (CID 156824580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).