(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide

C17H27N3O5S — CID 97029826

IUPAC(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1OCC
InChIInChI=1S/C17H27N3O5S/c1-4-24-15-7-6-14(12-16(15)25-5-2)26(22,23)20-10-8-19(9-11-20)13(3)17(18)21/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,18,21)/t13-/m1/s1
InChIKeyYOJAASXZYIMLBZ-CYBMUJFWSA-N
MW385.49 g/mol
LogP0.66
Rot. Bonds8

About (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide

(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 97029826) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID97029826
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1OCC
InChIInChI=1S/C17H27N3O5S/c1-4-24-15-7-6-14(12-16(15)25-5-2)26(22,23)20-10-8-19(9-11-20)13(3)17(18)21/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,18,21)/t13-/m1/s1
InChIKeyYOJAASXZYIMLBZ-CYBMUJFWSA-N
XLogP0.66
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 9190138
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189839
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
[(3S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 125118085
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963332
1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817212
N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678943
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide (CID 97029826) is (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide is CCOc1ccc(S(=O)(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1OCC.
What is the InChIKey of (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is YOJAASXZYIMLBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-4-24-15-7-6-14(12-16(15)25-5-2)26(22,23)20-10-8-19(9-11-20)13(3)17(18)21/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 385.49 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 97029826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).