N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide

C25H29N5O4S — CID 55369390

IUPACN-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H29N5O4S/c31-25(20-5-7-21(8-6-20)30-14-4-11-26-30)27-23-19-22(35(32,33)29-15-17-34-18-16-29)9-10-24(23)28-12-2-1-3-13-28/h4-11,14,19H,1-3,12-13,15-18H2,(H,27,31)
InChIKeyFGDWIFLXBSGOFZ-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.14
Rot. Bonds6

About N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide

N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide (PubChem CID 55369390) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide
PubChem CID55369390
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H29N5O4S/c31-25(20-5-7-21(8-6-20)30-14-4-11-26-30)27-23-19-22(35(32,33)29-15-17-34-18-16-29)9-10-24(23)28-12-2-1-3-13-28/h4-11,14,19H,1-3,12-13,15-18H2,(H,27,31)
InChIKeyFGDWIFLXBSGOFZ-UHFFFAOYSA-N
XLogP3.14
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 25326218
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-chloropyridine-4-carboxamide
CID 55456739
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55329357
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
4-acetamido-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26524447
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16546070
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide (CID 55369390) is N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is FGDWIFLXBSGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c31-25(20-5-7-21(8-6-20)30-14-4-11-26-30)27-23-19-22(35(32,33)29-15-17-34-18-16-29)9-10-24(23)28-12-2-1-3-13-28/h4-11,14,19H,1-3,12-13,15-18H2,(H,27,31).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide?
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 495.61 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 55369390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).