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

C24H33N5O3S — CID 11397292

IUPAC1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C24H33N5O3S/c1-18-16-20(17-19(2)26-18)27-24(30)25-12-15-28-13-10-22(11-14-28)29(21-8-9-21)33(31,32)23-6-4-3-5-7-23/h3-7,16-17,21-22H,8-15H2,1-2H3,(H2,25,26,27,30)
InChIKeyBZGGRDCJDQAEPK-UHFFFAOYSA-N
MW471.63 g/mol
LogP3.14
Rot. Bonds8

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

1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (PubChem CID 11397292) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
PubChem CID11397292
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C24H33N5O3S/c1-18-16-20(17-19(2)26-18)27-24(30)25-12-15-28-13-10-22(11-14-28)29(21-8-9-21)33(31,32)23-6-4-3-5-7-23/h3-7,16-17,21-22H,8-15H2,1-2H3,(H2,25,26,27,30)
InChIKeyBZGGRDCJDQAEPK-UHFFFAOYSA-N
XLogP3.14
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
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
1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 10151832
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90921061
1-[2-[4-[benzenesulfonyl(methyl)amino]piperidin-1-yl]ethyl]-3-(2,3-dimethyl-4-pyridinyl)urea
CID 68847568
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea
CID 11272334
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296
2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
CID 141224300

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The IUPAC name of 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (CID 11397292) is 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The canonical SMILES for 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is Cc1cc(NC(=O)NCCN2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)cc(C)n1.
What is the InChIKey of 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The InChIKey is BZGGRDCJDQAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-18-16-20(17-19(2)26-18)27-24(30)25-12-15-28-13-10-22(11-14-28)29(21-8-9-21)33(31,32)23-6-4-3-5-7-23/h3-7,16-17,21-22H,8-15H2,1-2H3,(H2,25,26,27,30).
What are the key properties of 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea has a molecular weight of 471.63 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is sourced from PubChem (CID 11397292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).