N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

C20H33N3O3S — CID 9393707

IUPACN-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)CCC)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-4-6-17(3)21-20(24)16-22-12-14-23(15-13-22)27(25,26)19-10-8-18(7-5-2)9-11-19/h8-11,17H,4-7,12-16H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyRIEKYUNLYHJZIP-KRWDZBQOSA-N
MW395.57 g/mol
LogP2.25
Rot. Bonds9

About N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 9393707) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID9393707
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)CCC)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-4-6-17(3)21-20(24)16-22-12-14-23(15-13-22)27(25,26)19-10-8-18(7-5-2)9-11-19/h8-11,17H,4-7,12-16H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyRIEKYUNLYHJZIP-KRWDZBQOSA-N
XLogP2.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8678550
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-butan-2-ylacetamide
CID 46572120
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
N-(phenylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411242
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
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
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 9393707) is N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)CCC)CC2)cc1.
What is the InChIKey of N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is RIEKYUNLYHJZIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-4-6-17(3)21-20(24)16-22-12-14-23(15-13-22)27(25,26)19-10-8-18(7-5-2)9-11-19/h8-11,17H,4-7,12-16H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 395.57 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 9393707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).