N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide

C18H22N2O4S — CID 167960042

IUPACN-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CC2CCCCO2)cn1Cc1ccccc1
InChIInChI=1S/C18H22N2O4S/c21-18-10-9-16(13-20(18)12-15-6-2-1-3-7-15)19-25(22,23)14-17-8-4-5-11-24-17/h1-3,6-7,9-10,13,17,19H,4-5,8,11-12,14H2
InChIKeyZIIQFNDZTCCRIJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds6

About N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide

N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide (PubChem CID 167960042) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide
PubChem CID167960042
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CC2CCCCO2)cn1Cc1ccccc1
InChIInChI=1S/C18H22N2O4S/c21-18-10-9-16(13-20(18)12-15-6-2-1-3-7-15)19-25(22,23)14-17-8-4-5-11-24-17/h1-3,6-7,9-10,13,17,19H,4-5,8,11-12,14H2
InChIKeyZIIQFNDZTCCRIJ-UHFFFAOYSA-N
XLogP2.21
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide 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

N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474
2-[4-(oxolan-2-ylmethylsulfonylamino)phenyl]acetic acid
CID 63246519
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95339490
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide
CID 154838414
(3aS,6aR)-2-benzyl-5-[[(2R)-oxolan-2-yl]methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 126422720
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106911397
2-(3-phenylpropylsulfonylmethyl)oxane
CID 78850846

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide (CID 167960042) is N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide is O=c1ccc(NS(=O)(=O)CC2CCCCO2)cn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is ZIIQFNDZTCCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c21-18-10-9-16(13-20(18)12-15-6-2-1-3-7-15)19-25(22,23)14-17-8-4-5-11-24-17/h1-3,6-7,9-10,13,17,19H,4-5,8,11-12,14H2.
What are the key properties of N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide?
N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-oxo-3-pyridinyl)-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 167960042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).