N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide

C22H29N3O6S — CID 55684681

IUPACN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cn1
InChIInChI=1S/C22H29N3O6S/c1-15(2)30-20-7-6-18(32(27,28)25-9-11-29-12-10-25)13-19(20)24-22(26)17-5-8-21(23-14-17)31-16(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,24,26)
InChIKeyZZVMUNRYGQMDAT-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.93
Rot. Bonds8

About N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 55684681) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID55684681
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cn1
InChIInChI=1S/C22H29N3O6S/c1-15(2)30-20-7-6-18(32(27,28)25-9-11-29-12-10-25)13-19(20)24-22(26)17-5-8-21(23-14-17)31-16(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,24,26)
InChIKeyZZVMUNRYGQMDAT-UHFFFAOYSA-N
XLogP2.93
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55686826
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775
4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 30725240
methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate
CID 30748288
1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609454
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 4789512
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24981047

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide (CID 55684681) is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cn1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is ZZVMUNRYGQMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-15(2)30-20-7-6-18(32(27,28)25-9-11-29-12-10-25)13-19(20)24-22(26)17-5-8-21(23-14-17)31-16(3)4/h5-8,13-16H,9-12H2,1-4H3,(H,24,26).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 55684681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).