2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide

C16H22N4O4S — CID 171395573

IUPAC2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)NC2CCOCC2)c2[nH]ncc2c1
InChIInChI=1S/C16H22N4O4S/c1-11-7-12-9-17-19-16(12)14(8-11)25(22,23)20(2)10-15(21)18-13-3-5-24-6-4-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyCQOJHCOHRAQHBO-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.79
Rot. Bonds5

About 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide

2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide (PubChem CID 171395573) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide
PubChem CID171395573
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)NC2CCOCC2)c2[nH]ncc2c1
InChIInChI=1S/C16H22N4O4S/c1-11-7-12-9-17-19-16(12)14(8-11)25(22,23)20(2)10-15(21)18-13-3-5-24-6-4-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyCQOJHCOHRAQHBO-UHFFFAOYSA-N
XLogP0.79
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide (CID 171395573) is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)NC2CCOCC2)c2[nH]ncc2c1.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide?
The InChIKey is CQOJHCOHRAQHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-11-7-12-9-17-19-16(12)14(8-11)25(22,23)20(2)10-15(21)18-13-3-5-24-6-4-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide?
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide has a molecular weight of 366.44 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 171395573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).