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

C22H25N3O5S — CID 2109484

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O5S/c1-29-20-7-6-16(14-21(20)31(27,28)25-10-12-30-13-11-25)22(26)23-9-8-17-15-24-19-5-3-2-4-18(17)19/h2-7,14-15,24H,8-13H2,1H3,(H,23,26)
InChIKeyIRMVQYYVJSCXHP-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.17
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2109484) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2109484
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25N3O5S/c1-29-20-7-6-16(14-21(20)31(27,28)25-10-12-30-13-11-25)22(26)23-9-8-17-15-24-19-5-3-2-4-18(17)19/h2-7,14-15,24H,8-13H2,1H3,(H,23,26)
InChIKeyIRMVQYYVJSCXHP-UHFFFAOYSA-N
XLogP2.17
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 1272760
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
[2-(1H-indol-3-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2462470
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
N-[2-(1H-indol-3-yl)ethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349257
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 26419222
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 26419309

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 2109484) is N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IRMVQYYVJSCXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-29-20-7-6-16(14-21(20)31(27,28)25-10-12-30-13-11-25)22(26)23-9-8-17-15-24-19-5-3-2-4-18(17)19/h2-7,14-15,24H,8-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 443.53 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2109484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).