N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide

C20H25N3O4S — CID 139004733

IUPACN-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C3CCOC3)c2)nc1
InChIInChI=1S/C20H25N3O4S/c1-20(2,3)23-28(25,26)17-7-8-18(21-12-17)22-19(24)15-6-4-5-14(11-15)16-9-10-27-13-16/h4-8,11-12,16,23H,9-10,13H2,1-3H3,(H,21,22,24)
InChIKeySNNNVAWCUARIKL-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.91
Rot. Bonds5

About N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide

N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide (PubChem CID 139004733) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide.

Molecular Properties

Compound NameN-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide
PubChem CID139004733
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C3CCOC3)c2)nc1
InChIInChI=1S/C20H25N3O4S/c1-20(2,3)23-28(25,26)17-7-8-18(21-12-17)22-19(24)15-6-4-5-14(11-15)16-9-10-27-13-16/h4-8,11-12,16,23H,9-10,13H2,1-3H3,(H,21,22,24)
InChIKeySNNNVAWCUARIKL-UHFFFAOYSA-N
XLogP2.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 154779474
2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 129470093
3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 98018239
(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
CID 94824302
3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 35028286
N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide
CID 167939993
2-oxo-2-[3-(oxolan-3-yl)phenyl]acetic acid
CID 117313843
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46651547
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide
CID 124729838
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide
CID 125136007
3-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 9214321

Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide?
The IUPAC name of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide (CID 139004733) is N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide.
What is the SMILES notation for N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide?
The canonical SMILES for N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(C3CCOC3)c2)nc1.
What is the InChIKey of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide?
The InChIKey is SNNNVAWCUARIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-20(2,3)23-28(25,26)17-7-8-18(21-12-17)22-19(24)15-6-4-5-14(11-15)16-9-10-27-13-16/h4-8,11-12,16,23H,9-10,13H2,1-3H3,(H,21,22,24).
What are the key properties of N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide?
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide is sourced from PubChem (CID 139004733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).