1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea

C18H23N5O3S — CID 140925924

IUPAC1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)NC2CCCNC2)cc1
InChIInChI=1S/C18H23N5O3S/c24-18(21-12-14-3-1-9-19-11-14)22-15-5-7-17(8-6-15)27(25,26)23-16-4-2-10-20-13-16/h1,3,5-9,11,16,20,23H,2,4,10,12-13H2,(H2,21,22,24)
InChIKeyIVYUJYOPWIDMQP-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.43
Rot. Bonds6

About 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 140925924) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID140925924
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)NC2CCCNC2)cc1
InChIInChI=1S/C18H23N5O3S/c24-18(21-12-14-3-1-9-19-11-14)22-15-5-7-17(8-6-15)27(25,26)23-16-4-2-10-20-13-16/h1,3,5-9,11,16,20,23H,2,4,10,12-13H2,(H2,21,22,24)
InChIKeyIVYUJYOPWIDMQP-UHFFFAOYSA-N
XLogP1.43
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-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-[4-[[(1S,3S)-3-hydroxycyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71654930
1-[4-[[3-(2-hydroxyethyl)cyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140926083
1-[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610981
1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045094
1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea
CID 140925994
1-[4-[(4-fluoro-3-methoxycyclohexyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140925948
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
1-[4-[(3-methoxy-2-methylcyclohexyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140925920
1-[4-[(2-methyl-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610341
1-[4-[[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]sulfonyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71735009
1-[4-[(4-cyclohexylcyclohexyl)methylsulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140618929

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea (CID 140925924) is 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)NC2CCCNC2)cc1.
What is the InChIKey of 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is IVYUJYOPWIDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c24-18(21-12-14-3-1-9-19-11-14)22-15-5-7-17(8-6-15)27(25,26)23-16-4-2-10-20-13-16/h1,3,5-9,11,16,20,23H,2,4,10,12-13H2,(H2,21,22,24).
What are the key properties of 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 389.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 140925924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).