N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide

C19H29N3O4S — CID 31344259

IUPACN-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-2-26-17-7-9-18(10-8-17)27(24,25)22-13-11-21(12-14-22)15-19(23)20-16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,20,23)
InChIKeyJZFYNRDVOZOBKA-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.45
Rot. Bonds7

About N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide

N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 31344259) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID31344259
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-2-26-17-7-9-18(10-8-17)27(24,25)22-13-11-21(12-14-22)15-19(23)20-16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,20,23)
InChIKeyJZFYNRDVOZOBKA-UHFFFAOYSA-N
XLogP1.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920699
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189839
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
N-cyclohexyl-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide
CID 8745095
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 2998224
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268
N-(4-ethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112822855
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8746898
1-(cyclopropylmethyl)-4-(4-ethoxyphenyl)sulfonyl-1,4-diazepane
CID 95751370

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide (CID 31344259) is N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide is CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is JZFYNRDVOZOBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-2-26-17-7-9-18(10-8-17)27(24,25)22-13-11-21(12-14-22)15-19(23)20-16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 31344259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).