2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide

C28H35N5O3S — CID 155780785

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C28H35N5O3S/c1-27(2,3)31-37(35,36)22-7-5-6-21(19-22)30-26(34)23-9-8-20(24-10-15-29-32(24)4)18-25(23)33-16-13-28(11-12-28)14-17-33/h5-10,15,18-19,31H,11-14,16-17H2,1-4H3,(H,30,34)
InChIKeyQWUFTFFSCKDZDO-UHFFFAOYSA-N
MW521.69 g/mol
LogP4.80
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide (PubChem CID 155780785) has the molecular formula C28H35N5O3S and a molecular weight of 521.69 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide
PubChem CID155780785
Molecular FormulaC28H35N5O3S
Molecular Weight521.69 g/mol
Exact Mass521.25
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C28H35N5O3S/c1-27(2,3)31-37(35,36)22-7-5-6-21(19-22)30-26(34)23-9-8-20(24-10-15-29-32(24)4)18-25(23)33-16-13-28(11-12-28)14-17-33/h5-10,15,18-19,31H,11-14,16-17H2,1-4H3,(H,30,34)
InChIKeyQWUFTFFSCKDZDO-UHFFFAOYSA-N
XLogP4.80
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.69
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656817
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656827
1-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656828
1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656830
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 16386803
1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725463
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
CID 118725464
3-(4-methylphenyl)-N-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolecarboxamide
CID 4095030
5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 36656496
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 16259324

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide (CID 155780785) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide is Cn1nccc1-c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is QWUFTFFSCKDZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3S/c1-27(2,3)31-37(35,36)22-7-5-6-21(19-22)30-26(34)23-9-8-20(24-10-15-29-32(24)4)18-25(23)33-16-13-28(11-12-28)14-17-33/h5-10,15,18-19,31H,11-14,16-17H2,1-4H3,(H,30,34).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 521.69 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 155780785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).