N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

C23H30N2O7S — CID 3643172

IUPACN-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C23H30N2O7S/c1-29-17-9-11-20(30-2)19(13-17)25(15-23(26)24-16-7-5-6-8-16)33(27,28)18-10-12-21(31-3)22(14-18)32-4/h9-14,16H,5-8,15H2,1-4H3,(H,24,26)
InChIKeyKOCAOSRWPQMXPJ-UHFFFAOYSA-N
MW478.57 g/mol
LogP2.98
Rot. Bonds10

About N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (PubChem CID 3643172) has the molecular formula C23H30N2O7S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
PubChem CID3643172
Molecular FormulaC23H30N2O7S
Molecular Weight478.57 g/mol
Exact Mass478.18
IUPAC NameN-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C23H30N2O7S/c1-29-17-9-11-20(30-2)19(13-17)25(15-23(26)24-16-7-5-6-8-16)33(27,28)18-10-12-21(31-3)22(14-18)32-4/h9-14,16H,5-8,15H2,1-4H3,(H,24,26)
InChIKeyKOCAOSRWPQMXPJ-UHFFFAOYSA-N
XLogP2.98
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (CID 3643172) is N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is COc1ccc(OC)c(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The InChIKey is KOCAOSRWPQMXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7S/c1-29-17-9-11-20(30-2)19(13-17)25(15-23(26)24-16-7-5-6-8-16)33(27,28)18-10-12-21(31-3)22(14-18)32-4/h9-14,16H,5-8,15H2,1-4H3,(H,24,26).
What are the key properties of N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide has a molecular weight of 478.57 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 3643172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).