2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde

C21H20N2O5S — CID 3856991

IUPAC2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde
SMILESCc1c(C=O)c2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H20N2O5S/c1-15-18(14-24)19-7-2-3-8-23(19)20(15)21(25)16-5-4-6-17(13-16)29(26,27)22-9-11-28-12-10-22/h2-8,13-14H,9-12H2,1H3
InChIKeyUGMQWCFCFNUJAK-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.31
Rot. Bonds5

About 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde

2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde (PubChem CID 3856991) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde
PubChem CID3856991
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde
SMILESCc1c(C=O)c2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H20N2O5S/c1-15-18(14-24)19-7-2-3-8-23(19)20(15)21(25)16-5-4-6-17(13-16)29(26,27)22-9-11-28-12-10-22/h2-8,13-14H,9-12H2,1H3
InChIKeyUGMQWCFCFNUJAK-UHFFFAOYSA-N
XLogP2.31
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2679308
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-(2-methylindolizin-3-yl)methanone
CID 2326626
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
3-[1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-2-methylindolizin-3-yl]propanoic acid
CID 40843280
2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824761
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde?
The IUPAC name of 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde (CID 3856991) is 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde.
What is the SMILES notation for 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde?
The canonical SMILES for 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde is Cc1c(C=O)c2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde?
The InChIKey is UGMQWCFCFNUJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-15-18(14-24)19-7-2-3-8-23(19)20(15)21(25)16-5-4-6-17(13-16)29(26,27)22-9-11-28-12-10-22/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde?
2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde has a molecular weight of 412.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-morpholin-4-ylsulfonylbenzoyl)indolizine-1-carbaldehyde is sourced from PubChem (CID 3856991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).