N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C21H23N3O4S — CID 1272760

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O4S/c25-21(22-10-9-17-15-23-20-4-2-1-3-19(17)20)16-5-7-18(8-6-16)29(26,27)24-11-13-28-14-12-24/h1-8,15,23H,9-14H2,(H,22,25)
InChIKeyMBIAIICLFNOPGS-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 1272760) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID1272760
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O4S/c25-21(22-10-9-17-15-23-20-4-2-1-3-19(17)20)16-5-7-18(8-6-16)29(26,27)24-11-13-28-14-12-24/h1-8,15,23H,9-14H2,(H,22,25)
InChIKeyMBIAIICLFNOPGS-UHFFFAOYSA-N
XLogP2.16
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484
4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
(2S)-1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710601
N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349257
N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552766
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156516
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645778
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 1272760) is N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MBIAIICLFNOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c25-21(22-10-9-17-15-23-20-4-2-1-3-19(17)20)16-5-7-18(8-6-16)29(26,27)24-11-13-28-14-12-24/h1-8,15,23H,9-14H2,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1272760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).