1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea

C19H24N4O3S — CID 66609911

IUPAC1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C19H24N4O3S/c24-19(22-15-17-5-4-10-20-13-17)21-14-16-6-8-18(9-7-16)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14-15H2,(H2,21,22,24)
InChIKeyCSIOZEDWHIRRPD-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.26
Rot. Bonds6

About 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea

1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66609911) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66609911
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C19H24N4O3S/c24-19(22-15-17-5-4-10-20-13-17)21-14-16-6-8-18(9-7-16)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14-15H2,(H2,21,22,24)
InChIKeyCSIOZEDWHIRRPD-UHFFFAOYSA-N
XLogP2.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Torasemide
CID 41781
N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
1-[4-(Piperidin-1-Ylsulfonyl)phenyl]-3-(Pyridin-3-Ylmethyl)thiourea
CID 2803102
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
2,4,6-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 676052
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-[4-(piperidinosulfonyl)phenyl]-N'-(4-pyridylmethyl)thiourea
CID 2803101
1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
CID 3099034
Sulfonamide deriv., 7i
CID 44520905
5-({[(4-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 73054728

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea (CID 66609911) is 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1cccnc1.
What is the InChIKey of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is CSIOZEDWHIRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-19(22-15-17-5-4-10-20-13-17)21-14-16-6-8-18(9-7-16)27(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14-15H2,(H2,21,22,24).
What are the key properties of 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea?
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 388.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66609911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).