N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide

C23H29N3O6S — CID 43039559

IUPACN-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O6S/c1-31-19-8-9-20(32-2)21(17-19)33(29,30)26-14-12-25(13-15-26)23(28)10-11-24-22(27)16-18-6-4-3-5-7-18/h3-9,17H,10-16H2,1-2H3,(H,24,27)
InChIKeyBOZIVASOEIJZOU-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.29
Rot. Bonds9

About N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide

N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide (PubChem CID 43039559) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
PubChem CID43039559
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O6S/c1-31-19-8-9-20(32-2)21(17-19)33(29,30)26-14-12-25(13-15-26)23(28)10-11-24-22(27)16-18-6-4-3-5-7-18/h3-9,17H,10-16H2,1-2H3,(H,24,27)
InChIKeyBOZIVASOEIJZOU-UHFFFAOYSA-N
XLogP1.29
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide (CID 43039559) is N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The InChIKey is BOZIVASOEIJZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-31-19-8-9-20(32-2)21(17-19)33(29,30)26-14-12-25(13-15-26)23(28)10-11-24-22(27)16-18-6-4-3-5-7-18/h3-9,17H,10-16H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide has a molecular weight of 475.57 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 43039559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).