2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

C36H56N8O8S2 — CID 159557035

IUPAC2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCn1c(=O)oc2cc(NC3CCC(CNS(=O)(=O)C(C)(C)C)CC3)ncc21.Cn1c(=O)oc2nc(NC3CCC(CNS(=O)(=O)C(C)(C)C)CC3)ccc21
InChIInChI=1S/2C18H28N4O4S/c1-18(2,3)27(24,25)20-10-12-5-7-13(8-6-12)21-16-9-15-14(11-19-16)22(4)17(23)26-15;1-18(2,3)27(24,25)19-11-12-5-7-13(8-6-12)20-15-10-9-14-16(21-15)26-17(23)22(14)4/h9,11-13,20H,5-8,10H2,1-4H3,(H,19,21);9-10,12-13,19H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyMGCXVPXWSCAJOR-UHFFFAOYSA-N
MW793.03 g/mol
LogP4.43
Rot. Bonds10

About 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 159557035) has the molecular formula C36H56N8O8S2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID159557035
Molecular FormulaC36H56N8O8S2
Molecular Weight793.03 g/mol
Exact Mass792.37
IUPAC Name2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCn1c(=O)oc2cc(NC3CCC(CNS(=O)(=O)C(C)(C)C)CC3)ncc21.Cn1c(=O)oc2nc(NC3CCC(CNS(=O)(=O)C(C)(C)C)CC3)ccc21
InChIInChI=1S/2C18H28N4O4S/c1-18(2,3)27(24,25)20-10-12-5-7-13(8-6-12)21-16-9-15-14(11-19-16)22(4)17(23)26-15;1-18(2,3)27(24,25)19-11-12-5-7-13(8-6-12)20-15-10-9-14-16(21-15)26-17(23)22(14)4/h9,11-13,20H,5-8,10H2,1-4H3,(H,19,21);9-10,12-13,19H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyMGCXVPXWSCAJOR-UHFFFAOYSA-N
XLogP4.43
TPSA212.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide with MolForge

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Related Compounds

2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59230681
2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59231557
2-methyl-N-[4-[[(3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59231652
1-[4-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexyl]-N,N-dimethylmethanesulfonamide
CID 90218738
2-[4-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexyl]propane-2-sulfonamide
CID 123432123
3-methyl-5-[4-[(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 177805605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 159557035) is 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is Cn1c(=O)oc2cc(NC3CCC(CNS(=O)(=O)C(C)(C)C)CC3)ncc21.Cn1c(=O)oc2nc(NC3CCC(CNS(=O)(=O)C(C)(C)C)CC3)ccc21.
What is the InChIKey of 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is MGCXVPXWSCAJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H28N4O4S/c1-18(2,3)27(24,25)20-10-12-5-7-13(8-6-12)21-16-9-15-14(11-19-16)22(4)17(23)26-15;1-18(2,3)27(24,25)19-11-12-5-7-13(8-6-12)20-15-10-9-14-16(21-15)26-17(23)22(14)4/h9,11-13,20H,5-8,10H2,1-4H3,(H,19,21);9-10,12-13,19H,5-8,11H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 793.03 g/mol, XLogP of 4.43, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide;2-methyl-N-[[4-[(3-methyl-2-oxo-[1,3]oxazolo[4,5-c]pyridin-6-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 159557035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).