N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H32N2O5S — CID 1298545

IUPACN-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H32N2O5S/c1-18-10-13-21(14-11-18)32(28,29)26(22-16-20(30-2)12-15-23(22)31-3)17-24(27)25-19-8-6-4-5-7-9-19/h10-16,19H,4-9,17H2,1-3H3,(H,25,27)
InChIKeyCYPQGHUHOPRDDD-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.05
Rot. Bonds8

About N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1298545) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1298545
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H32N2O5S/c1-18-10-13-21(14-11-18)32(28,29)26(22-16-20(30-2)12-15-23(22)31-3)17-24(27)25-19-8-6-4-5-7-9-19/h10-16,19H,4-9,17H2,1-3H3,(H,25,27)
InChIKeyCYPQGHUHOPRDDD-UHFFFAOYSA-N
XLogP4.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1298545) is N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is CYPQGHUHOPRDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-18-10-13-21(14-11-18)32(28,29)26(22-16-20(30-2)12-15-23(22)31-3)17-24(27)25-19-8-6-4-5-7-9-19/h10-16,19H,4-9,17H2,1-3H3,(H,25,27).
What are the key properties of N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 460.60 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1298545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).