1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea

C23H31F2N5O3S — CID 90736138

IUPAC1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3c(CF)cccc3CF)CC2)cc(C)n1
InChIInChI=1S/C23H31F2N5O3S/c1-16-12-21(13-17(2)27-16)28-23(31)26-8-11-30-9-6-20(7-10-30)29-34(32,33)22-18(14-24)4-3-5-19(22)15-25/h3-5,12-13,20,29H,6-11,14-15H2,1-2H3,(H2,26,27,28,31)
InChIKeyXMDZFFMLXVJTBI-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.20
Rot. Bonds9

About 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea

1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (PubChem CID 90736138) has the molecular formula C23H31F2N5O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
PubChem CID90736138
Molecular FormulaC23H31F2N5O3S
Molecular Weight495.60 g/mol
Exact Mass495.21
IUPAC Name1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3c(CF)cccc3CF)CC2)cc(C)n1
InChIInChI=1S/C23H31F2N5O3S/c1-16-12-21(13-17(2)27-16)28-23(31)26-8-11-30-9-6-20(7-10-30)29-34(32,33)22-18(14-24)4-3-5-19(22)15-25/h3-5,12-13,20,29H,6-11,14-15H2,1-2H3,(H2,26,27,28,31)
InChIKeyXMDZFFMLXVJTBI-UHFFFAOYSA-N
XLogP3.20
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)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-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90921061
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
1-(2-methylquinolin-4-yl)-3-[2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 10174859
N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 90920265
2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide
CID 90742460
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
CID 91272245
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
1-[2-[4-[cyclopropyl-(2-methoxy-4-methylphenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11295284
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The IUPAC name of 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (CID 90736138) is 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The canonical SMILES for 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is Cc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3c(CF)cccc3CF)CC2)cc(C)n1.
What is the InChIKey of 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The InChIKey is XMDZFFMLXVJTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N5O3S/c1-16-12-21(13-17(2)27-16)28-23(31)26-8-11-30-9-6-20(7-10-30)29-34(32,33)22-18(14-24)4-3-5-19(22)15-25/h3-5,12-13,20,29H,6-11,14-15H2,1-2H3,(H2,26,27,28,31).
What are the key properties of 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea has a molecular weight of 495.60 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is sourced from PubChem (CID 90736138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).