1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide

C20H21N3O5S — CID 69217069

IUPAC1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide
SMILESNC(=O)c1cc2ccccc2n1S(=O)(=O)N1CCOC(COc2ccccc2)C1
InChIInChI=1S/C20H21N3O5S/c21-20(24)19-12-15-6-4-5-9-18(15)23(19)29(25,26)22-10-11-27-17(13-22)14-28-16-7-2-1-3-8-16/h1-9,12,17H,10-11,13-14H2,(H2,21,24)
InChIKeyULQKOKNCLJXFLK-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.61
Rot. Bonds6

About 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide

1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide (PubChem CID 69217069) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide
PubChem CID69217069
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide
SMILESNC(=O)c1cc2ccccc2n1S(=O)(=O)N1CCOC(COc2ccccc2)C1
InChIInChI=1S/C20H21N3O5S/c21-20(24)19-12-15-6-4-5-9-18(15)23(19)29(25,26)22-10-11-27-17(13-22)14-28-16-7-2-1-3-8-16/h1-9,12,17H,10-11,13-14H2,(H2,21,24)
InChIKeyULQKOKNCLJXFLK-UHFFFAOYSA-N
XLogP1.61
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-iodo-3-[(2S)-2-(phenoxymethyl)morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide
CID 10007487
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
4-[[2-carbamoyl-5-chloro-3-[(2S)-2-(phenoxymethyl)morpholin-4-yl]sulfonyl-1H-indol-7-yl]amino]-4-oxobutanoic acid
CID 70981055
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
ethyl 4-[[2-carbamoyl-5-chloro-3-[(2S)-2-(phenoxymethyl)morpholin-4-yl]sulfonyl-1H-indol-7-yl]amino]piperidine-1-carboxylate
CID 66575136
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979824
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide?
The IUPAC name of 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide (CID 69217069) is 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide.
What is the SMILES notation for 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide?
The canonical SMILES for 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide is NC(=O)c1cc2ccccc2n1S(=O)(=O)N1CCOC(COc2ccccc2)C1.
What is the InChIKey of 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide?
The InChIKey is ULQKOKNCLJXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c21-20(24)19-12-15-6-4-5-9-18(15)23(19)29(25,26)22-10-11-27-17(13-22)14-28-16-7-2-1-3-8-16/h1-9,12,17H,10-11,13-14H2,(H2,21,24).
What are the key properties of 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide?
1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)morpholin-4-yl]sulfonylindole-2-carboxamide is sourced from PubChem (CID 69217069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).