(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide

C19H32N3O4S+ — CID 9493110

IUPAC(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O4S/c1-5-26-17-6-8-18(9-7-17)27(24,25)22-12-10-21(11-13-22)16(4)19(23)20-14-15(2)3/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)/p+1/t16-/m1/s1
InChIKeyMYVYWLFPZZGNDT-MRXNPFEDSA-O
MW398.55 g/mol
LogP0.14
Rot. Bonds8

About (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide

(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 9493110) has the molecular formula C19H32N3O4S+ and a molecular weight of 398.55 g/mol. Its IUPAC name is (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID9493110
Molecular FormulaC19H32N3O4S+
Molecular Weight398.55 g/mol
Exact Mass398.21
IUPAC Name(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O4S/c1-5-26-17-6-8-18(9-7-17)27(24,25)22-12-10-21(11-13-22)16(4)19(23)20-14-15(2)3/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)/p+1/t16-/m1/s1
InChIKeyMYVYWLFPZZGNDT-MRXNPFEDSA-O
XLogP0.14
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
CID 9493105
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512474
(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
CID 9493245
(2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CID 8746787
2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8687988
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
CID 9493018
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide
CID 9493181
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8746758
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide (CID 9493110) is (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide is CCOc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is MYVYWLFPZZGNDT-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H31N3O4S/c1-5-26-17-6-8-18(9-7-17)27(24,25)22-12-10-21(11-13-22)16(4)19(23)20-14-15(2)3/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)/p+1/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 398.55 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 9493110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).