3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid

C83H115N15O15S3 — CID 167555880

IUPAC3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1cccc(N)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C(=O)OCC3(C)C)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H37N5O5S.C27H39N5O4S.C18H23N3O4.C10H16N2O2S/c1-26(2,3)31-39(36,37)20-8-6-7-19(17-20)29-24(34)21-9-10-22(33-25(35)38-18-27(33,4)5)30-23(21)32-15-13-28(11-12-28)14-16-32;1-25(2,3)31-37(35,36)20-8-6-7-19(17-20)28-24(34)21-9-10-22(30-26(4,5)18-33)29-23(21)32-15-13-27(11-12-27)14-16-32;1-17(2)11-25-16(24)21(17)13-4-3-12(15(22)23)14(19-13)20-9-7-18(5-6-18)8-10-20;1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h6-10,17,31H,11-16,18H2,1-5H3,(H,29,34);6-10,17,31,33H,11-16,18H2,1-5H3,(H,28,34)(H,29,30);3-4H,5-11H2,1-2H3,(H,22,23);4-7,12H,11H2,1-3H3
InChIKeyCZUTWXXLDTYXTH-UHFFFAOYSA-N
MW1659.12 g/mol
LogP12.74
Rot. Bonds19

About 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid

3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid (PubChem CID 167555880) has the molecular formula C83H115N15O15S3 and a molecular weight of 1659.12 g/mol. Its IUPAC name is 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid
PubChem CID167555880
Molecular FormulaC83H115N15O15S3
Molecular Weight1659.12 g/mol
Exact Mass1657.79
IUPAC Name3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1cccc(N)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C(=O)OCC3(C)C)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C28H37N5O5S.C27H39N5O4S.C18H23N3O4.C10H16N2O2S/c1-26(2,3)31-39(36,37)20-8-6-7-19(17-20)29-24(34)21-9-10-22(33-25(35)38-18-27(33,4)5)30-23(21)32-15-13-28(11-12-28)14-16-32;1-25(2,3)31-37(35,36)20-8-6-7-19(17-20)28-24(34)21-9-10-22(30-26(4,5)18-33)29-23(21)32-15-13-27(11-12-27)14-16-32;1-17(2)11-25-16(24)21(17)13-4-3-12(15(22)23)14(19-13)20-9-7-18(5-6-18)8-10-20;1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h6-10,17,31H,11-16,18H2,1-5H3,(H,29,34);6-10,17,31,33H,11-16,18H2,1-5H3,(H,28,34)(H,29,30);3-4H,5-11H2,1-2H3,(H,22,23);4-7,12H,11H2,1-3H3
InChIKeyCZUTWXXLDTYXTH-UHFFFAOYSA-N
XLogP12.74
TPSA399.76 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001659.12
LogP ≤ 512.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyridine-3-carboxylic acid
CID 167551903
3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(methylsulfonylmethyl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(methylsulfonylmethyl)pyridine-3-carboxylic acid
CID 167545530
3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-fluoropyridine-3-carboxylic acid
CID 167608280
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;(3R)-pyrrolidin-3-ol
CID 167648956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid (CID 167555880) is 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1cccc(N)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3C(=O)OCC3(C)C)nc2N2CCC3(CC2)CC3)c1.CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1.CC1(C)COC(=O)N1c1ccc(C(=O)O)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid?
The InChIKey is CZUTWXXLDTYXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O5S.C27H39N5O4S.C18H23N3O4.C10H16N2O2S/c1-26(2,3)31-39(36,37)20-8-6-7-19(17-20)29-24(34)21-9-10-22(33-25(35)38-18-27(33,4)5)30-23(21)32-15-13-28(11-12-28)14-16-32;1-25(2,3)31-37(35,36)20-8-6-7-19(17-20)28-24(34)21-9-10-22(30-26(4,5)18-33)29-23(21)32-15-13-27(11-12-27)14-16-32;1-17(2)11-25-16(24)21(17)13-4-3-12(15(22)23)14(19-13)20-9-7-18(5-6-18)8-10-20;1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h6-10,17,31H,11-16,18H2,1-5H3,(H,29,34);6-10,17,31,33H,11-16,18H2,1-5H3,(H,28,34)(H,29,30);3-4H,5-11H2,1-2H3,(H,22,23);4-7,12H,11H2,1-3H3.
What are the key properties of 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid?
3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid has a molecular weight of 1659.12 g/mol, XLogP of 12.74, 19 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butylbenzenesulfonamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167555880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).