1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea

C21H22N4O3S — CID 135222648

IUPAC1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCc1cccc(CNS(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H22N4O3S/c1-16-3-2-4-18(13-16)15-24-29(27,28)20-7-5-19(6-8-20)25-21(26)23-14-17-9-11-22-12-10-17/h2-13,24H,14-15H2,1H3,(H2,23,25,26)
InChIKeyOVRQTPFCUFRNRN-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.19
Rot. Bonds7

About 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135222648) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135222648
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCc1cccc(CNS(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H22N4O3S/c1-16-3-2-4-18(13-16)15-24-29(27,28)20-7-5-19(6-8-20)25-21(26)23-14-17-9-11-22-12-10-17/h2-13,24H,14-15H2,1H3,(H2,23,25,26)
InChIKeyOVRQTPFCUFRNRN-UHFFFAOYSA-N
XLogP3.19
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)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-(benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231284
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-[4-[[2-(dimethylamino)phenyl]methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222662
1-[4-[(2-bromophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 171778499
1-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)thiourea
CID 175587898
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222969
1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223127
1-[4-(3-iodophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222928
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135222648) is 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is Cc1cccc(CNS(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1.
What is the InChIKey of 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is OVRQTPFCUFRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-16-3-2-4-18(13-16)15-24-29(27,28)20-7-5-19(6-8-20)25-21(26)23-14-17-9-11-22-12-10-17/h2-13,24H,14-15H2,1H3,(H2,23,25,26).
What are the key properties of 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 410.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135222648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).