3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C22H25N3O5S — CID 4875250

IUPAC3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O5S/c1-29-21-8-7-17(31(27,28)25-10-12-30-13-11-25)14-20(21)24-22(26)9-6-16-15-23-19-5-3-2-4-18(16)19/h2-5,7-8,14-15,23H,6,9-13H2,1H3,(H,24,26)
InChIKeyQHWBIBNPKHGJAJ-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.77
Rot. Bonds7

About 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 4875250) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID4875250
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O5S/c1-29-21-8-7-17(31(27,28)25-10-12-30-13-11-25)14-20(21)24-22(26)9-6-16-15-23-19-5-3-2-4-18(16)19/h2-5,7-8,14-15,23H,6,9-13H2,1H3,(H,24,26)
InChIKeyQHWBIBNPKHGJAJ-UHFFFAOYSA-N
XLogP2.77
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
CID 42627769
5-bromo-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173750
6-bromo-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173755
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173771
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
5-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173790
5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173792
US9663498, Example 23
CID 118181441
3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(piperazin-1-yl) phenyl)sulfonyl)-1H-indole
CID 118181454
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
Substituted phenylsulfonyltryptamine, 11i
CID 23655464
N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71450107

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 4875250) is 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is QHWBIBNPKHGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-29-21-8-7-17(31(27,28)25-10-12-30-13-11-25)14-20(21)24-22(26)9-6-16-15-23-19-5-3-2-4-18(16)19/h2-5,7-8,14-15,23H,6,9-13H2,1H3,(H,24,26).
What are the key properties of 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 443.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4875250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).