4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C20H33N3O4S — CID 8511153

IUPAC4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C20H33N3O4S/c1-5-23(6-2)28(25,26)19-9-7-17(8-10-19)20(24)21-13-18-15-22(11-12-27-18)14-16(3)4/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,21,24)/t18-/m0/s1
InChIKeyIIKJDXSQRDXWSN-SFHVURJKSA-N
MW411.57 g/mol
LogP1.80
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 8511153) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID8511153
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C20H33N3O4S/c1-5-23(6-2)28(25,26)19-9-7-17(8-10-19)20(24)21-13-18-15-22(11-12-27-18)14-16(3)4/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,21,24)/t18-/m0/s1
InChIKeyIIKJDXSQRDXWSN-SFHVURJKSA-N
XLogP1.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55622876
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24560165
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 43017063
4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24625208
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51074161
N-ethyl-4-[[[ethylamino-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111369860
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24642334
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39484487

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 8511153) is 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is IIKJDXSQRDXWSN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-5-23(6-2)28(25,26)19-9-7-17(8-10-19)20(24)21-13-18-15-22(11-12-27-18)14-16(3)4/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 411.57 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 8511153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).