2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide

C25H28N4O4S — CID 167960615

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H28N4O4S/c1-18-10-11-19(2)23(16-18)34(31,32)28-22-8-4-3-7-21(22)25(30)26-17-20-6-5-9-24(27-20)29-12-14-33-15-13-29/h3-11,16,28H,12-15,17H2,1-2H3,(H,26,30)
InChIKeyCIAUKAVXHQQLEP-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.27
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide (PubChem CID 167960615) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
PubChem CID167960615
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccc(N3CCOCC3)n2)c1
InChIInChI=1S/C25H28N4O4S/c1-18-10-11-19(2)23(16-18)34(31,32)28-22-8-4-3-7-21(22)25(30)26-17-20-6-5-9-24(27-20)29-12-14-33-15-13-29/h3-11,16,28H,12-15,17H2,1-2H3,(H,26,30)
InChIKeyCIAUKAVXHQQLEP-UHFFFAOYSA-N
XLogP3.27
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
1,6-dimethyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 136550911
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 35990962
7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 136532576
8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136549928
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55959451
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
1-(2-methoxyethyl)-6-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 167887604
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136547172

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide (CID 167960615) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
The InChIKey is CIAUKAVXHQQLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-18-10-11-19(2)23(16-18)34(31,32)28-22-8-4-3-7-21(22)25(30)26-17-20-6-5-9-24(27-20)29-12-14-33-15-13-29/h3-11,16,28H,12-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 167960615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).