3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

C18H22N2O4S2 — CID 4800684

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)CC(C)O1
InChIInChI=1S/C18H22N2O4S2/c1-13-11-20(12-14(2)24-13)26(22,23)17-7-3-5-15(9-17)18(21)19-10-16-6-4-8-25-16/h3-9,13-14H,10-12H2,1-2H3,(H,19,21)
InChIKeyCHFLJAZZRQEGRC-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.48
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 4800684) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID4800684
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)CC(C)O1
InChIInChI=1S/C18H22N2O4S2/c1-13-11-20(12-14(2)24-13)26(22,23)17-7-3-5-15(9-17)18(21)19-10-16-6-4-8-25-16/h3-9,13-14H,10-12H2,1-2H3,(H,19,21)
InChIKeyCHFLJAZZRQEGRC-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 27746046
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24504058
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35864868
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 24598977
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748431
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenylpropyl)benzamide
CID 43010790
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55370203
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 4800684) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CHFLJAZZRQEGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-13-11-20(12-14(2)24-13)26(22,23)17-7-3-5-15(9-17)18(21)19-10-16-6-4-8-25-16/h3-9,13-14H,10-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 4800684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).