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

C25H26N2O6S — CID 2676641

IUPAC4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H26N2O6S/c1-18-3-8-21(9-4-18)33-22-10-6-20(7-11-22)26-25(28)19-5-12-23(31-2)24(17-19)34(29,30)27-13-15-32-16-14-27/h3-12,17H,13-16H2,1-2H3,(H,26,28)
InChIKeyUCMQJDCGOUCMPG-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.07
Rot. Bonds7

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

4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2676641) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2676641
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H26N2O6S/c1-18-3-8-21(9-4-18)33-22-10-6-20(7-11-22)26-25(28)19-5-12-23(31-2)24(17-19)34(29,30)27-13-15-32-16-14-27/h3-12,17H,13-16H2,1-2H3,(H,26,28)
InChIKeyUCMQJDCGOUCMPG-UHFFFAOYSA-N
XLogP4.07
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 2676641) is 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UCMQJDCGOUCMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-18-3-8-21(9-4-18)33-22-10-6-20(7-11-22)26-25(28)19-5-12-23(31-2)24(17-19)34(29,30)27-13-15-32-16-14-27/h3-12,17H,13-16H2,1-2H3,(H,26,28).
What are the key properties of 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 482.56 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2676641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).