2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C22H25N7O5S — CID 30806019

IUPAC2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H25N7O5S/c30-22(26-17-1-4-21(24-14-17)29-16-23-15-25-29)19-13-18(35(31,32)28-7-11-34-12-8-28)2-3-20(19)27-5-9-33-10-6-27/h1-4,13-16H,5-12H2,(H,26,30)
InChIKeyPIGYKSMOJXMYNV-UHFFFAOYSA-N
MW499.55 g/mol
LogP0.77
Rot. Bonds6

About 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 30806019) has the molecular formula C22H25N7O5S and a molecular weight of 499.55 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID30806019
Molecular FormulaC22H25N7O5S
Molecular Weight499.55 g/mol
Exact Mass499.16
IUPAC Name2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H25N7O5S/c30-22(26-17-1-4-21(24-14-17)29-16-23-15-25-29)19-13-18(35(31,32)28-7-11-34-12-8-28)2-3-20(19)27-5-9-33-10-6-27/h1-4,13-16H,5-12H2,(H,26,30)
InChIKeyPIGYKSMOJXMYNV-UHFFFAOYSA-N
XLogP0.77
TPSA131.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 30840943
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 24819914
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
1-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]-3-phenylthiourea
CID 3306307
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N-(2,5-difluorophenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 31509173
N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4828738
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 25326218
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 30806019) is 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is O=C(Nc1ccc(-n2cncn2)nc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is PIGYKSMOJXMYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O5S/c30-22(26-17-1-4-21(24-14-17)29-16-23-15-25-29)19-13-18(35(31,32)28-7-11-34-12-8-28)2-3-20(19)27-5-9-33-10-6-27/h1-4,13-16H,5-12H2,(H,26,30).
What are the key properties of 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 499.55 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 30806019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).