3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide

C24H29N3O4S — CID 60607019

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide
SMILESCCCn1ccc2cc(NC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)ccc21
InChIInChI=1S/C24H29N3O4S/c1-4-11-26-12-10-19-13-21(8-9-23(19)26)25-24(28)20-6-5-7-22(14-20)32(29,30)27-15-17(2)31-18(3)16-27/h5-10,12-14,17-18H,4,11,15-16H2,1-3H3,(H,25,28)
InChIKeyHKKQFRUKHYBUNN-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.10
Rot. Bonds6

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide (PubChem CID 60607019) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide
PubChem CID60607019
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide
SMILESCCCn1ccc2cc(NC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)ccc21
InChIInChI=1S/C24H29N3O4S/c1-4-11-26-12-10-19-13-21(8-9-23(19)26)25-24(28)20-6-5-7-22(14-20)32(29,30)27-15-17(2)31-18(3)16-27/h5-10,12-14,17-18H,4,11,15-16H2,1-3H3,(H,25,28)
InChIKeyHKKQFRUKHYBUNN-UHFFFAOYSA-N
XLogP4.10
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(4-bromo-3-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41152859
N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905906
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40855456
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 46521653
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide (CID 60607019) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide is CCCn1ccc2cc(NC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)ccc21.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide?
The InChIKey is HKKQFRUKHYBUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-4-11-26-12-10-19-13-21(8-9-23(19)26)25-24(28)20-6-5-7-22(14-20)32(29,30)27-15-17(2)31-18(3)16-27/h5-10,12-14,17-18H,4,11,15-16H2,1-3H3,(H,25,28).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide has a molecular weight of 455.58 g/mol, XLogP of 4.10, 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-propylindol-5-yl)benzamide is sourced from PubChem (CID 60607019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).