N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide

C21H23N3O4S — CID 4079831

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2[nH]1
InChIInChI=1S/C21H23N3O4S/c1-15-12-18-13-16(2-7-20(18)23-15)14-22-21(25)17-3-5-19(6-4-17)29(26,27)24-8-10-28-11-9-24/h2-7,12-13,23H,8-11,14H2,1H3,(H,22,25)
InChIKeyAUFDIOSKDNJKCW-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.43
Rot. Bonds5

About N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide

N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 4079831) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID4079831
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2[nH]1
InChIInChI=1S/C21H23N3O4S/c1-15-12-18-13-16(2-7-20(18)23-15)14-22-21(25)17-3-5-19(6-4-17)29(26,27)24-8-10-28-11-9-24/h2-7,12-13,23H,8-11,14H2,1H3,(H,22,25)
InChIKeyAUFDIOSKDNJKCW-UHFFFAOYSA-N
XLogP2.43
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide (CID 4079831) is N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide is Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AUFDIOSKDNJKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-12-18-13-16(2-7-20(18)23-15)14-22-21(25)17-3-5-19(6-4-17)29(26,27)24-8-10-28-11-9-24/h2-7,12-13,23H,8-11,14H2,1H3,(H,22,25).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4079831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).