4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide

C21H25N3O6S — CID 46465140

IUPAC4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C21H25N3O6S/c1-14-12-15(20(25)22-2)4-6-17(14)23-21(26)16-5-7-18(29-3)19(13-16)31(27,28)24-8-10-30-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFNZQZVIKDMYVDG-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.64
Rot. Bonds6

About 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide

4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide (PubChem CID 46465140) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
PubChem CID46465140
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C21H25N3O6S/c1-14-12-15(20(25)22-2)4-6-17(14)23-21(26)16-5-7-18(29-3)19(13-16)31(27,28)24-8-10-30-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFNZQZVIKDMYVDG-UHFFFAOYSA-N
XLogP1.64
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 46458104
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
CID 24509379

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide (CID 46465140) is 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1.
What is the InChIKey of 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide?
The InChIKey is FNZQZVIKDMYVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-14-12-15(20(25)22-2)4-6-17(14)23-21(26)16-5-7-18(29-3)19(13-16)31(27,28)24-8-10-30-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide?
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide has a molecular weight of 447.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 46465140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).