4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide

C21H27N3O6S — CID 55780552

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2OC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O6S/c1-15(2)30-21-17(5-4-8-22-21)14-23-20(25)16-6-7-18(28-3)19(13-16)31(26,27)24-9-11-29-12-10-24/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,25)
InChIKeyOBOKRWTYNZCHTA-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.83
Rot. Bonds8

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide (PubChem CID 55780552) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
PubChem CID55780552
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2OC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O6S/c1-15(2)30-21-17(5-4-8-22-21)14-23-20(25)16-6-7-18(28-3)19(13-16)31(26,27)24-9-11-29-12-10-24/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,25)
InChIKeyOBOKRWTYNZCHTA-UHFFFAOYSA-N
XLogP1.83
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37485901
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 26010349
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241498
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide (CID 55780552) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2cccnc2OC(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is OBOKRWTYNZCHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-15(2)30-21-17(5-4-8-22-21)14-23-20(25)16-6-7-18(28-3)19(13-16)31(26,27)24-9-11-29-12-10-24/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,25).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55780552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).