1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea

C22H30N4O3S — CID 140925994

IUPAC1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea
SMILESCC1CC(C)C(NS(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C(C)C1
InChIInChI=1S/C22H30N4O3S/c1-15-11-16(2)21(17(3)12-15)26-30(28,29)20-8-6-19(7-9-20)25-22(27)24-14-18-5-4-10-23-13-18/h4-10,13,15-17,21,26H,11-12,14H2,1-3H3,(H2,24,25,27)
InChIKeyHDKRSARGHPZLGO-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.75
Rot. Bonds6

About 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea

1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea (PubChem CID 140925994) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea
PubChem CID140925994
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea
SMILESCC1CC(C)C(NS(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C(C)C1
InChIInChI=1S/C22H30N4O3S/c1-15-11-16(2)21(17(3)12-15)26-30(28,29)20-8-6-19(7-9-20)25-22(27)24-14-18-5-4-10-23-13-18/h4-10,13,15-17,21,26H,11-12,14H2,1-3H3,(H2,24,25,27)
InChIKeyHDKRSARGHPZLGO-UHFFFAOYSA-N
XLogP3.75
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea with MolForge

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Related Compounds

1-[4-[[(1S,3S)-3-hydroxycyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71654930
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849
1-[4-[(3-methoxy-2-methylcyclohexyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140925920
1-[4-[[3-(2-hydroxyethyl)cyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140926083
1-[4-[(4-fluoro-3-methoxycyclohexyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140925948
1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140925924
1-[4-(2,3-dimethylcyclohexyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 140618935
1-[4-[(2-methyl-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610341
1-(pyridin-3-ylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]urea
CID 66611194
1-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610827
1-[4-(3,5-diethylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 123334685
1-[4-[(4-methoxy-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610845

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea (CID 140925994) is 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea is CC1CC(C)C(NS(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)C(C)C1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea?
The InChIKey is HDKRSARGHPZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-15-11-16(2)21(17(3)12-15)26-30(28,29)20-8-6-19(7-9-20)25-22(27)24-14-18-5-4-10-23-13-18/h4-10,13,15-17,21,26H,11-12,14H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea?
1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea has a molecular weight of 430.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3-[4-[(2,4,6-trimethylcyclohexyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 140925994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).