3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C25H39N3O4S — CID 17483248

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCC3(N4CCCCC4)CCCCC3)c2)CC(C)O1
InChIInChI=1S/C25H39N3O4S/c1-20-17-28(18-21(2)32-20)33(30,31)23-11-9-10-22(16-23)24(29)26-19-25(12-5-3-6-13-25)27-14-7-4-8-15-27/h9-11,16,20-21H,3-8,12-15,17-19H2,1-2H3,(H,26,29)
InChIKeySMJCEDLHGXSNKM-UHFFFAOYSA-N
MW477.67 g/mol
LogP3.40
Rot. Bonds6

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 17483248) has the molecular formula C25H39N3O4S and a molecular weight of 477.67 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID17483248
Molecular FormulaC25H39N3O4S
Molecular Weight477.67 g/mol
Exact Mass477.27
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCC3(N4CCCCC4)CCCCC3)c2)CC(C)O1
InChIInChI=1S/C25H39N3O4S/c1-20-17-28(18-21(2)32-20)33(30,31)23-11-9-10-22(16-23)24(29)26-19-25(12-5-3-6-13-25)27-14-7-4-8-15-27/h9-11,16,20-21H,3-8,12-15,17-19H2,1-2H3,(H,26,29)
InChIKeySMJCEDLHGXSNKM-UHFFFAOYSA-N
XLogP3.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
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-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2449881
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 25362112
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 94113676
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55370203

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 17483248) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)NCC3(N4CCCCC4)CCCCC3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is SMJCEDLHGXSNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4S/c1-20-17-28(18-21(2)32-20)33(30,31)23-11-9-10-22(16-23)24(29)26-19-25(12-5-3-6-13-25)27-14-7-4-8-15-27/h9-11,16,20-21H,3-8,12-15,17-19H2,1-2H3,(H,26,29).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 477.67 g/mol, XLogP of 3.40, 6 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-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 17483248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).