5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide

C26H30N4O4S — CID 55844468

IUPAC5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C26H30N4O4S/c1-18-9-11-23(35(32,33)28-14-21-7-5-4-6-8-21)13-24(18)26(31)29-22-10-12-25(27-15-22)30-16-19(2)34-20(3)17-30/h4-13,15,19-20,28H,14,16-17H2,1-3H3,(H,29,31)
InChIKeyDJAFTXCQIFSGGY-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.73
Rot. Bonds7

About 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide (PubChem CID 55844468) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
PubChem CID55844468
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C26H30N4O4S/c1-18-9-11-23(35(32,33)28-14-21-7-5-4-6-8-21)13-24(18)26(31)29-22-10-12-25(27-15-22)30-16-19(2)34-20(3)17-30/h4-13,15,19-20,28H,14,16-17H2,1-3H3,(H,29,31)
InChIKeyDJAFTXCQIFSGGY-UHFFFAOYSA-N
XLogP3.73
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440
3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710370
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55814619
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
5-(benzylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 25163680
5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 34543324
5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide
CID 43011429
6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide
CID 55786434
5-(benzylsulfamoyl)-N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 42937358
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(4-sulfamoylphenyl)acetamide
CID 56510821
5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 31514219

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide (CID 55844468) is 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)nc1.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is DJAFTXCQIFSGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-18-9-11-23(35(32,33)28-14-21-7-5-4-6-8-21)13-24(18)26(31)29-22-10-12-25(27-15-22)30-16-19(2)34-20(3)17-30/h4-13,15,19-20,28H,14,16-17H2,1-3H3,(H,29,31).
What are the key properties of 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 494.62 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 55844468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).