N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide

C20H24N2O6S — CID 55623393

IUPACN-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C20H24N2O6S/c1-14-12-17(26-2)18(27-3)13-16(14)21-20(23)15-6-4-5-7-19(15)29(24,25)22-8-10-28-11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)
InChIKeyZWZFDCDQZLLSHS-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.29
Rot. Bonds6

About N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide

N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55623393) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55623393
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C20H24N2O6S/c1-14-12-17(26-2)18(27-3)13-16(14)21-20(23)15-6-4-5-7-19(15)29(24,25)22-8-10-28-11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)
InChIKeyZWZFDCDQZLLSHS-UHFFFAOYSA-N
XLogP2.29
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289322
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625600
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide (CID 55623393) is N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide is COc1cc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZWZFDCDQZLLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-14-12-17(26-2)18(27-3)13-16(14)21-20(23)15-6-4-5-7-19(15)29(24,25)22-8-10-28-11-9-22/h4-7,12-13H,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55623393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).