4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C19H22N2O4S — CID 1118210

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-21(26(23,24)18-7-3-2-4-8-18)16-11-9-15(10-12-16)19(22)20-14-17-6-5-13-25-17/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyCZPSXYMTRLFTLJ-QGZVFWFLSA-N
MW374.46 g/mol
LogP2.42
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1118210) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID1118210
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-21(26(23,24)18-7-3-2-4-8-18)16-11-9-15(10-12-16)19(22)20-14-17-6-5-13-25-17/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyCZPSXYMTRLFTLJ-QGZVFWFLSA-N
XLogP2.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 989154
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126337837
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2955389
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1303995
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1118210) is 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is CZPSXYMTRLFTLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-21(26(23,24)18-7-3-2-4-8-18)16-11-9-15(10-12-16)19(22)20-14-17-6-5-13-25-17/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1118210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).