1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

C19H20N4O3S — CID 87038386

IUPAC1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCCS(=O)(=O)c1ccccc1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N4O3S/c24-19(20-11-12-27(25,26)18-9-5-2-6-10-18)21-13-16-14-22-23(15-16)17-7-3-1-4-8-17/h1-10,14-15H,11-13H2,(H2,20,21,24)
InChIKeyPSZGNFFOVGZFHD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.15
Rot. Bonds7

About 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 87038386) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID87038386
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCCS(=O)(=O)c1ccccc1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H20N4O3S/c24-19(20-11-12-27(25,26)18-9-5-2-6-10-18)21-13-16-14-22-23(15-16)17-7-3-1-4-8-17/h1-10,14-15H,11-13H2,(H2,20,21,24)
InChIKeyPSZGNFFOVGZFHD-UHFFFAOYSA-N
XLogP2.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)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

(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
1-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 26249383
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94067419
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (CID 87038386) is 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is O=C(NCCS(=O)(=O)c1ccccc1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is PSZGNFFOVGZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(20-11-12-27(25,26)18-9-5-2-6-10-18)21-13-16-14-22-23(15-16)17-7-3-1-4-8-17/h1-10,14-15H,11-13H2,(H2,20,21,24).
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 384.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 87038386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).