N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C22H25N3O4S — CID 3244006

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-17-16-19-4-2-3-5-21(19)25(17)11-10-23-22(26)18-6-8-20(9-7-18)30(27,28)24-12-14-29-15-13-24/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyNUNWJOSHDYYETR-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 3244006) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID3244006
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O4S/c1-17-16-19-4-2-3-5-21(19)25(17)11-10-23-22(26)18-6-8-20(9-7-18)30(27,28)24-12-14-29-15-13-24/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyNUNWJOSHDYYETR-UHFFFAOYSA-N
XLogP2.40
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 3244006) is N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NUNWJOSHDYYETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-17-16-19-4-2-3-5-21(19)25(17)11-10-23-22(26)18-6-8-20(9-7-18)30(27,28)24-12-14-29-15-13-24/h2-9,16H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 427.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3244006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).