N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C21H26N2O5S — CID 1318861

IUPACN-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-17-11-13-18(14-12-17)29(25,26)23(19-9-5-6-10-20(19)28-2)15-21(24)22-16-7-3-4-8-16/h5-6,9-14,16H,3-4,7-8,15H2,1-2H3,(H,22,24)
InChIKeyLVDHMZVCWOOVRS-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.96
Rot. Bonds8

About N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 1318861) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID1318861
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-17-11-13-18(14-12-17)29(25,26)23(19-9-5-6-10-20(19)28-2)15-21(24)22-16-7-3-4-8-16/h5-6,9-14,16H,3-4,7-8,15H2,1-2H3,(H,22,24)
InChIKeyLVDHMZVCWOOVRS-UHFFFAOYSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 1318861) is N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccccc2OC)cc1.
What is the InChIKey of N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is LVDHMZVCWOOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-17-11-13-18(14-12-17)29(25,26)23(19-9-5-6-10-20(19)28-2)15-21(24)22-16-7-3-4-8-16/h5-6,9-14,16H,3-4,7-8,15H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1318861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).