N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

C20H33N3O3S — CID 8678550

IUPACN-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-6-18-7-9-19(10-8-18)27(25,26)23-13-11-22(12-14-23)15-20(24)21-17(4)16(2)3/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyWFVXXNKYAJBIEK-QGZVFWFLSA-N
MW395.57 g/mol
LogP2.11
Rot. Bonds8

About N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8678550) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8678550
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-6-18-7-9-19(10-8-18)27(25,26)23-13-11-22(12-14-23)15-20(24)21-17(4)16(2)3/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,21,24)/t17-/m1/s1
InChIKeyWFVXXNKYAJBIEK-QGZVFWFLSA-N
XLogP2.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8678549
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411242
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-butan-2-ylacetamide
CID 46572120
N-(4-cyanophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112769574
N-(1-cyanocyclopentyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393591
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8678550) is N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)cc1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is WFVXXNKYAJBIEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-5-6-18-7-9-19(10-8-18)27(25,26)23-13-11-22(12-14-23)15-20(24)21-17(4)16(2)3/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 395.57 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8678550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).