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

C22H30ClN5O3S — CID 90921061

IUPAC1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(CNS(=O)(=O)c3cccc(Cl)c3)CC2)cc(C)n1
InChIInChI=1S/C22H30ClN5O3S/c1-16-12-20(13-17(2)26-16)27-22(29)24-8-11-28-9-6-18(7-10-28)15-25-32(30,31)21-5-3-4-19(23)14-21/h3-5,12-14,18,25H,6-11,15H2,1-2H3,(H2,24,26,27,29)
InChIKeyUCMBRZSXBMUMGY-UHFFFAOYSA-N
MW480.03 g/mol
LogP3.16
Rot. Bonds8

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

1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (PubChem CID 90921061) has the molecular formula C22H30ClN5O3S and a molecular weight of 480.03 g/mol. Its IUPAC name is 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
PubChem CID90921061
Molecular FormulaC22H30ClN5O3S
Molecular Weight480.03 g/mol
Exact Mass479.18
IUPAC Name1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(CNS(=O)(=O)c3cccc(Cl)c3)CC2)cc(C)n1
InChIInChI=1S/C22H30ClN5O3S/c1-16-12-20(13-17(2)26-16)27-22(29)24-8-11-28-9-6-18(7-10-28)15-25-32(30,31)21-5-3-4-19(23)14-21/h3-5,12-14,18,25H,6-11,15H2,1-2H3,(H2,24,26,27,29)
InChIKeyUCMBRZSXBMUMGY-UHFFFAOYSA-N
XLogP3.16
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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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-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 90920265
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
1-(2,6-diethyl-4-pyridinyl)-3-[2-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]piperidin-1-yl]ethyl]urea
CID 91563773
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296
1-[2-[4-[cyclopropyl-(2-methoxy-4-methylphenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11295284
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The IUPAC name of 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (CID 90921061) is 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The canonical SMILES for 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is Cc1cc(NC(=O)NCCN2CCC(CNS(=O)(=O)c3cccc(Cl)c3)CC2)cc(C)n1.
What is the InChIKey of 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The InChIKey is UCMBRZSXBMUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O3S/c1-16-12-20(13-17(2)26-16)27-22(29)24-8-11-28-9-6-18(7-10-28)15-25-32(30,31)21-5-3-4-19(23)14-21/h3-5,12-14,18,25H,6-11,15H2,1-2H3,(H2,24,26,27,29).
What are the key properties of 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea has a molecular weight of 480.03 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is sourced from PubChem (CID 90921061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).