1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea

C24H32FN5O3S — CID 68691993

IUPAC1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccccc3F)CC2)cc(C)n1
InChIInChI=1S/C24H32FN5O3S/c1-17-15-19(16-18(2)27-17)28-24(31)26-11-14-29-12-9-21(10-13-29)30(20-7-8-20)34(32,33)23-6-4-3-5-22(23)25/h3-6,15-16,20-21H,7-14H2,1-2H3,(H2,26,27,28,31)
InChIKeyKNNQFACNBGQFEI-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.28
Rot. Bonds8

About 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea

1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (PubChem CID 68691993) has the molecular formula C24H32FN5O3S and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
PubChem CID68691993
Molecular FormulaC24H32FN5O3S
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC Name1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccccc3F)CC2)cc(C)n1
InChIInChI=1S/C24H32FN5O3S/c1-17-15-19(16-18(2)27-17)28-24(31)26-11-14-29-12-9-21(10-13-29)30(20-7-8-20)34(32,33)23-6-4-3-5-22(23)25/h3-6,15-16,20-21H,7-14H2,1-2H3,(H2,26,27,28,31)
InChIKeyKNNQFACNBGQFEI-UHFFFAOYSA-N
XLogP3.28
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea with MolForge

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Related Compounds

1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
1-[2-[4-[cyclopropyl-(2-methoxy-4-methylphenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11295284
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 90920265
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90921061
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea
CID 11272334
2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
CID 141224300
1-(2-methylquinolin-4-yl)-3-[2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 10174859

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The IUPAC name of 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (CID 68691993) is 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The canonical SMILES for 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccccc3F)CC2)cc(C)n1.
What is the InChIKey of 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The InChIKey is KNNQFACNBGQFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O3S/c1-17-15-19(16-18(2)27-17)28-24(31)26-11-14-29-12-9-21(10-13-29)30(20-7-8-20)34(32,33)23-6-4-3-5-22(23)25/h3-6,15-16,20-21H,7-14H2,1-2H3,(H2,26,27,28,31).
What are the key properties of 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea has a molecular weight of 489.62 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is sourced from PubChem (CID 68691993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).