1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea

C19H25N5O3S — CID 66548508

IUPAC1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
SMILESCCS(=O)(=O)N1CCN(Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1
InChIInChI=1S/C19H25N5O3S/c1-2-28(26,27)24-11-9-23(10-12-24)15-16-5-3-6-17(13-16)21-19(25)22-18-7-4-8-20-14-18/h3-8,13-14H,2,9-12,15H2,1H3,(H2,21,22,25)
InChIKeyCSVJLOSDVWPXEG-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.19
Rot. Bonds6

About 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea

1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea (PubChem CID 66548508) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
PubChem CID66548508
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
SMILESCCS(=O)(=O)N1CCN(Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1
InChIInChI=1S/C19H25N5O3S/c1-2-28(26,27)24-11-9-23(10-12-24)15-16-5-3-6-17(13-16)21-19(25)22-18-7-4-8-20-14-18/h3-8,13-14H,2,9-12,15H2,1H3,(H2,21,22,25)
InChIKeyCSVJLOSDVWPXEG-UHFFFAOYSA-N
XLogP2.19
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea 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-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66677091
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921738
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 43923906
N-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 69225261
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 110709141
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 43919042
1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
CID 146087942
N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919553
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921733
1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
CID 118782533
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38100390

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea (CID 66548508) is 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea is CCS(=O)(=O)N1CCN(Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1.
What is the InChIKey of 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
The InChIKey is CSVJLOSDVWPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-2-28(26,27)24-11-9-23(10-12-24)15-16-5-3-6-17(13-16)21-19(25)22-18-7-4-8-20-14-18/h3-8,13-14H,2,9-12,15H2,1H3,(H2,21,22,25).
What are the key properties of 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea?
1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea has a molecular weight of 403.51 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 66548508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).