1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea

C22H22N2O4S — CID 160725572

IUPAC1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Cc3cccc(O)c3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-15-6-9-18(10-7-15)23-22(26)24-19-11-8-16(2)21(13-19)29(27,28)14-17-4-3-5-20(25)12-17/h3-13,25H,14H2,1-2H3,(H2,23,24,26)
InChIKeyMNMNSMKOIWYRJC-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.63
Rot. Bonds5

About 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea

1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea (PubChem CID 160725572) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea
PubChem CID160725572
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Cc3cccc(O)c3)c2)cc1
InChIInChI=1S/C22H22N2O4S/c1-15-6-9-18(10-7-15)23-22(26)24-19-11-8-16(2)21(13-19)29(27,28)14-17-4-3-5-20(25)12-17/h3-13,25H,14H2,1-2H3,(H2,23,24,26)
InChIKeyMNMNSMKOIWYRJC-UHFFFAOYSA-N
XLogP4.63
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)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-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]-3-(4-iodophenyl)urea
CID 161393431
1-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]-3-(2,3-dimethylphenyl)urea
CID 159707443
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-(4-butylphenyl)-3-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]urea
CID 159292484
1-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 158215251
3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol
CID 81183738
[4-[[2-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylmethyl]phenyl] methanesulfonate
CID 153074122
[3-[(4-hydroxyphenyl)carbamoylamino]phenyl] 2,5-dimethylbenzenesulfonate
CID 150762538
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea (CID 160725572) is 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Cc3cccc(O)c3)c2)cc1.
What is the InChIKey of 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea?
The InChIKey is MNMNSMKOIWYRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-6-9-18(10-7-15)23-22(26)24-19-11-8-16(2)21(13-19)29(27,28)14-17-4-3-5-20(25)12-17/h3-13,25H,14H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea?
1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea has a molecular weight of 410.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 160725572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).