N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide

C23H25N3O5S — CID 6624264

IUPACN-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H25N3O5S/c1-24(18-7-3-2-4-8-18)23(28)17-32(29,30)21-15-26(20-10-6-5-9-19(20)21)16-22(27)25-11-13-31-14-12-25/h2-10,15H,11-14,16-17H2,1H3
InChIKeyMSFOOSAMESINIK-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.94
Rot. Bonds6

About N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide

N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide (PubChem CID 6624264) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide
PubChem CID6624264
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H25N3O5S/c1-24(18-7-3-2-4-8-18)23(28)17-32(29,30)21-15-26(20-10-6-5-9-19(20)21)16-22(27)25-11-13-31-14-12-25/h2-10,15H,11-14,16-17H2,1H3
InChIKeyMSFOOSAMESINIK-UHFFFAOYSA-N
XLogP1.94
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide?
The IUPAC name of N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide (CID 6624264) is N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide is CN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide?
The InChIKey is MSFOOSAMESINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-24(18-7-3-2-4-8-18)23(28)17-32(29,30)21-15-26(20-10-6-5-9-19(20)21)16-22(27)25-11-13-31-14-12-25/h2-10,15H,11-14,16-17H2,1H3.
What are the key properties of N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide?
N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide has a molecular weight of 455.54 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonyl-N-phenylacetamide is sourced from PubChem (CID 6624264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).