N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide

C19H29N3O5S — CID 9189839

IUPACN-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1OCC
InChIInChI=1S/C19H29N3O5S/c1-3-26-17-8-7-16(13-18(17)27-4-2)28(24,25)22-11-9-21(10-12-22)14-19(23)20-15-5-6-15/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,20,23)
InChIKeyGQDFFORIDWURER-UHFFFAOYSA-N
MW411.52 g/mol
LogP1.07
Rot. Bonds9

About N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 9189839) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID9189839
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC NameN-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1OCC
InChIInChI=1S/C19H29N3O5S/c1-3-26-17-8-7-16(13-18(17)27-4-2)28(24,25)22-11-9-21(10-12-22)14-19(23)20-15-5-6-15/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,20,23)
InChIKeyGQDFFORIDWURER-UHFFFAOYSA-N
XLogP1.07
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 9190138
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
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
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678943
N-cyclopropyl-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189833
N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920699
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide
CID 108560702
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide (CID 9189839) is N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide is CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1OCC.
What is the InChIKey of N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is GQDFFORIDWURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-3-26-17-8-7-16(13-18(17)27-4-2)28(24,25)22-11-9-21(10-12-22)14-19(23)20-15-5-6-15/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 411.52 g/mol, XLogP of 1.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 9189839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).