4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide

C21H25N3O6S — CID 30858798

IUPAC4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H25N3O6S/c1-22-20(25)16-5-3-4-15(12-16)14-23-21(26)17-6-7-18(29-2)19(13-17)31(27,28)24-8-10-30-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPYWQPAMEOZOOML-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.01
Rot. Bonds7

About 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide

4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 30858798) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID30858798
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H25N3O6S/c1-22-20(25)16-5-3-4-15(12-16)14-23-21(26)17-6-7-18(29-2)19(13-17)31(27,28)24-8-10-30-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPYWQPAMEOZOOML-UHFFFAOYSA-N
XLogP1.01
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55781546
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
CID 43875221
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261543
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide (CID 30858798) is 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide is CNC(=O)c1cccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PYWQPAMEOZOOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-22-20(25)16-5-3-4-15(12-16)14-23-21(26)17-6-7-18(29-2)19(13-17)31(27,28)24-8-10-30-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 447.51 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 30858798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).