2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C14H20N2O4S — CID 2955389

IUPAC2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccccc1C(=O)NCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)13-8-4-3-7-12(13)14(17)15-10-11-6-5-9-20-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyLYFUSHRRVVHJMK-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.99
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2955389) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2955389
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccccc1C(=O)NCC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)13-8-4-3-7-12(13)14(17)15-10-11-6-5-9-20-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyLYFUSHRRVVHJMK-UHFFFAOYSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126337837
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
CID 27260765
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43900791
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 6927860

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2955389) is 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide is CN(c1ccccc1C(=O)NCC1CCCO1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LYFUSHRRVVHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(21(2,18)19)13-8-4-3-7-12(13)14(17)15-10-11-6-5-9-20-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2955389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).