N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C23H29N3O8S2 — CID 5126912

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O8S2/c1-17-3-5-19(35(28,29)25-7-11-33-12-8-25)16-20(17)23(27)24-18-4-6-21(32-2)22(15-18)36(30,31)26-9-13-34-14-10-26/h3-6,15-16H,7-14H2,1-2H3,(H,24,27)
InChIKeyYKAITDLAMZQEBD-UHFFFAOYSA-N
MW539.63 g/mol
LogP1.30
Rot. Bonds7

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 5126912) has the molecular formula C23H29N3O8S2 and a molecular weight of 539.63 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID5126912
Molecular FormulaC23H29N3O8S2
Molecular Weight539.63 g/mol
Exact Mass539.14
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O8S2/c1-17-3-5-19(35(28,29)25-7-11-33-12-8-25)16-20(17)23(27)24-18-4-6-21(32-2)22(15-18)36(30,31)26-9-13-34-14-10-26/h3-6,15-16H,7-14H2,1-2H3,(H,24,27)
InChIKeyYKAITDLAMZQEBD-UHFFFAOYSA-N
XLogP1.30
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.63
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3968655
2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798488
2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4839884
3-[(4-Methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5176528
3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 16239406
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
[4-(4-Methoxy-phenyl)-piperazin-1-yl]-[4-(morpholine-4-sulfonyl)-phenyl]-methanone
CID 647493
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 5126912) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YKAITDLAMZQEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O8S2/c1-17-3-5-19(35(28,29)25-7-11-33-12-8-25)16-20(17)23(27)24-18-4-6-21(32-2)22(15-18)36(30,31)26-9-13-34-14-10-26/h3-6,15-16H,7-14H2,1-2H3,(H,24,27).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 539.63 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5126912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).