N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide

C18H28N2O4S — CID 51222796

IUPACN-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H28N2O4S/c1-5-6-11-19(4)18(21)16-7-9-17(10-8-16)25(22,23)20-12-14(2)24-15(3)13-20/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyYFSCJILFCFUFHU-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.36
Rot. Bonds6

About N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide

N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide (PubChem CID 51222796) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
PubChem CID51222796
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H28N2O4S/c1-5-6-11-19(4)18(21)16-7-9-17(10-8-16)25(22,23)20-12-14(2)24-15(3)13-20/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyYFSCJILFCFUFHU-UHFFFAOYSA-N
XLogP2.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide
CID 78785878
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 9193663
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 46637447
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020441
N-cyclopentyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51268305
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 31978663
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-2-ethylhexyl]benzamide
CID 8712887
propyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 43008143
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide (CID 51222796) is N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
The InChIKey is YFSCJILFCFUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-5-6-11-19(4)18(21)16-7-9-17(10-8-16)25(22,23)20-12-14(2)24-15(3)13-20/h7-10,14-15H,5-6,11-13H2,1-4H3.
What are the key properties of N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide?
N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 51222796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).