3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide

C22H29N3O5S — CID 17321608

IUPAC3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
SMILESCCOCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-3-30-17-12-22(26)23-18-8-10-19(11-9-18)31(27,28)25-15-13-24(14-16-25)20-6-4-5-7-21(20)29-2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyINNCINSIFWNWRH-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.57
Rot. Bonds9

About 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide

3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide (PubChem CID 17321608) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
PubChem CID17321608
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
SMILESCCOCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-3-30-17-12-22(26)23-18-8-10-19(11-9-18)31(27,28)25-15-13-24(14-16-25)20-6-4-5-7-21(20)29-2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyINNCINSIFWNWRH-UHFFFAOYSA-N
XLogP2.57
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320534
2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320520
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
CID 17320775
3,5-dimethoxy-N-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylanilino]-3-oxopropyl]benzamide
CID 17191829
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594
1-(2-ethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120527
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 41093278

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide (CID 17321608) is 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide is CCOCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is INNCINSIFWNWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-3-30-17-12-22(26)23-18-8-10-19(11-9-18)31(27,28)25-15-13-24(14-16-25)20-6-4-5-7-21(20)29-2/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 447.56 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 17321608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).