N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C18H21N3O4S — CID 46651547

IUPACN-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)nc1
InChIInChI=1S/C18H21N3O4S/c1-13-7-8-17(19-11-13)21-18(22)14-4-2-6-16(10-14)26(23,24)20-12-15-5-3-9-25-15/h2,4,6-8,10-11,15,20H,3,5,9,12H2,1H3,(H,19,21,22)
InChIKeyFEWKTAPFUSYTID-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.10
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46651547) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46651547
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)nc1
InChIInChI=1S/C18H21N3O4S/c1-13-7-8-17(19-11-13)21-18(22)14-4-2-6-16(10-14)26(23,24)20-12-15-5-3-9-25-15/h2,4,6-8,10-11,15,20H,3,5,9,12H2,1H3,(H,19,21,22)
InChIKeyFEWKTAPFUSYTID-UHFFFAOYSA-N
XLogP2.10
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42940880

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46651547) is N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is FEWKTAPFUSYTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-7-8-17(19-11-13)21-18(22)14-4-2-6-16(10-14)26(23,24)20-12-15-5-3-9-25-15/h2,4,6-8,10-11,15,20H,3,5,9,12H2,1H3,(H,19,21,22).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46651547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).