1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea

C15H19N3O3S — CID 110775896

IUPAC1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C15H19N3O3S/c1-12-3-5-14(6-4-12)22(20,21)17-15(19)16-9-7-13-8-10-18(2)11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,16,17,19)
InChIKeyUZBZSFPDNFBJQZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.56
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea

1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea (PubChem CID 110775896) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
PubChem CID110775896
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2ccn(C)c2)cc1
InChIInChI=1S/C15H19N3O3S/c1-12-3-5-14(6-4-12)22(20,21)17-15(19)16-9-7-13-8-10-18(2)11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,16,17,19)
InChIKeyUZBZSFPDNFBJQZ-UHFFFAOYSA-N
XLogP1.56
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]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-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 142713680
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110369965
1-(4-methylphenyl)sulfonyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747836
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 67245194
1-(4-methylphenyl)sulfonyl-3-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]urea
CID 110401573
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea (CID 110775896) is 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea is Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccn(C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea?
The InChIKey is UZBZSFPDNFBJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-3-5-14(6-4-12)22(20,21)17-15(19)16-9-7-13-8-10-18(2)11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea?
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea has a molecular weight of 321.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea is sourced from PubChem (CID 110775896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).