3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide

C19H26N4O4S — CID 7905794

IUPAC3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)C[C@H](C)O1
InChIInChI=1S/C19H26N4O4S/c1-15-12-23(13-16(2)27-15)28(25,26)18-6-3-5-17(11-18)19(24)21-7-4-9-22-10-8-20-14-22/h3,5-6,8,10-11,14-16H,4,7,9,12-13H2,1-2H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyPDDZGECJIPJCNL-HOTGVXAUSA-N
MW406.51 g/mol
LogP1.50
Rot. Bonds7

About 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide

3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 7905794) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID7905794
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)C[C@H](C)O1
InChIInChI=1S/C19H26N4O4S/c1-15-12-23(13-16(2)27-15)28(25,26)18-6-3-5-17(11-18)19(24)21-7-4-9-22-10-8-20-14-22/h3,5-6,8,10-11,14-16H,4,7,9,12-13H2,1-2H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyPDDZGECJIPJCNL-HOTGVXAUSA-N
XLogP1.50
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53314248
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 55341749
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742045
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
CID 43002278
(E)-2-cyano-3-[3-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 6193445
2-cyano-3-[3-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 4701045
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
N-[2-(4-chlorophenoxy)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43027985

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide (CID 7905794) is 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide is C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)C[C@H](C)O1.
What is the InChIKey of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is PDDZGECJIPJCNL-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-12-23(13-16(2)27-15)28(25,26)18-6-3-5-17(11-18)19(24)21-7-4-9-22-10-8-20-14-22/h3,5-6,8,10-11,14-16H,4,7,9,12-13H2,1-2H3,(H,21,24)/t15-,16-/m0/s1.
What are the key properties of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 406.51 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 7905794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).