4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

C22H28N4O4S — CID 90633315

IUPAC4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N4O4S/c27-21(25-18-7-9-19(10-8-18)30-22-23-13-4-14-24-22)17-5-11-20(12-6-17)31(28,29)26-15-2-1-3-16-26/h4-6,11-14,18-19H,1-3,7-10,15-16H2,(H,25,27)
InChIKeyPOCSFRCHASZZDD-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.77
Rot. Bonds6

About 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (PubChem CID 90633315) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
PubChem CID90633315
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N4O4S/c27-21(25-18-7-9-19(10-8-18)30-22-23-13-4-14-24-22)17-5-11-20(12-6-17)31(28,29)26-15-2-1-3-16-26/h4-6,11-14,18-19H,1-3,7-10,15-16H2,(H,25,27)
InChIKeyPOCSFRCHASZZDD-UHFFFAOYSA-N
XLogP2.77
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90634270
4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633273
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 100680992
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010217
N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
CID 38390372
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7746205
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (CID 90633315) is 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The InChIKey is POCSFRCHASZZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c27-21(25-18-7-9-19(10-8-18)30-22-23-13-4-14-24-22)17-5-11-20(12-6-17)31(28,29)26-15-2-1-3-16-26/h4-6,11-14,18-19H,1-3,7-10,15-16H2,(H,25,27).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide has a molecular weight of 444.56 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is sourced from PubChem (CID 90633315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).