N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C23H34N4O4S — CID 5309048

IUPACN-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H34N4O4S/c1-17-23(18(2)26(3)25-17)32(29,30)27(20-12-14-21(31-4)15-13-20)16-22(28)24-19-10-8-6-5-7-9-11-19/h12-15,19H,5-11,16H2,1-4H3,(H,24,28)
InChIKeyFVLZMQMEPBMCND-UHFFFAOYSA-N
MW462.62 g/mol
LogP3.47
Rot. Bonds7

About N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 5309048) has the molecular formula C23H34N4O4S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID5309048
Molecular FormulaC23H34N4O4S
Molecular Weight462.62 g/mol
Exact Mass462.23
IUPAC NameN-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H34N4O4S/c1-17-23(18(2)26(3)25-17)32(29,30)27(20-12-14-21(31-4)15-13-20)16-22(28)24-19-10-8-6-5-7-9-11-19/h12-15,19H,5-11,16H2,1-4H3,(H,24,28)
InChIKeyFVLZMQMEPBMCND-UHFFFAOYSA-N
XLogP3.47
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 5309048) is N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is FVLZMQMEPBMCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4S/c1-17-23(18(2)26(3)25-17)32(29,30)27(20-12-14-21(31-4)15-13-20)16-22(28)24-19-10-8-6-5-7-9-11-19/h12-15,19H,5-11,16H2,1-4H3,(H,24,28).
What are the key properties of N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 462.62 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 5309048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).