3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

C22H30N4O6S — CID 135968579

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c(=O)[nH]1
InChIInChI=1S/C22H30N4O6S/c1-14(2)32-20-7-5-17(33(29,30)26-9-11-31-12-10-26)13-19(20)25-21(27)8-6-18-15(3)23-16(4)24-22(18)28/h5,7,13-14H,6,8-12H2,1-4H3,(H,25,27)(H,23,24,28)
InChIKeyFVHXJJBRAXTCAL-UHFFFAOYSA-N
MW478.57 g/mol
LogP1.77
Rot. Bonds8

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (PubChem CID 135968579) has the molecular formula C22H30N4O6S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
PubChem CID135968579
Molecular FormulaC22H30N4O6S
Molecular Weight478.57 g/mol
Exact Mass478.19
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c(=O)[nH]1
InChIInChI=1S/C22H30N4O6S/c1-14(2)32-20-7-5-17(33(29,30)26-9-11-31-12-10-26)13-19(20)25-21(27)8-6-18-15(3)23-16(4)24-22(18)28/h5,7,13-14H,6,8-12H2,1-4H3,(H,25,27)(H,23,24,28)
InChIKeyFVHXJJBRAXTCAL-UHFFFAOYSA-N
XLogP1.77
TPSA130.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24981047
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135968591
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 55365370
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26265970
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614522
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 27955175
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775
N-(2-methoxy-5-methylphenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135927493
1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609454
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55684681

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (CID 135968579) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is Cc1nc(C)c(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The InChIKey is FVHXJJBRAXTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S/c1-14(2)32-20-7-5-17(33(29,30)26-9-11-31-12-10-26)13-19(20)25-21(27)8-6-18-15(3)23-16(4)24-22(18)28/h5,7,13-14H,6,8-12H2,1-4H3,(H,25,27)(H,23,24,28).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide has a molecular weight of 478.57 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 135968579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).