2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide

C19H31N4O5S+ — CID 8687988

IUPAC2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NCC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O5S/c1-4-28-16-5-7-17(8-6-16)29(26,27)23-11-9-22(10-12-23)14-19(25)20-13-18(24)21-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,25)(H,21,24)/p+1
InChIKeyJEXKFCJBLHXVMJ-UHFFFAOYSA-O
MW427.55 g/mol
LogP-1.38
Rot. Bonds9

About 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide

2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 8687988) has the molecular formula C19H31N4O5S+ and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID8687988
Molecular FormulaC19H31N4O5S+
Molecular Weight427.55 g/mol
Exact Mass427.20
IUPAC Name2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NCC(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O5S/c1-4-28-16-5-7-17(8-6-16)29(26,27)23-11-9-22(10-12-23)14-19(25)20-13-18(24)21-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,25)(H,21,24)/p+1
InChIKeyJEXKFCJBLHXVMJ-UHFFFAOYSA-O
XLogP-1.38
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8819321
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8746758
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
CID 8746800
2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8742670
(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
CID 9493110
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8743173
(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512474
(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
CID 9493105
N-(2-methylpropyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393696
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 8743707

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide (CID 8687988) is 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide is CCOc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NCC(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is JEXKFCJBLHXVMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N4O5S/c1-4-28-16-5-7-17(8-6-16)29(26,27)23-11-9-22(10-12-23)14-19(25)20-13-18(24)21-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,25)(H,21,24)/p+1.
What are the key properties of 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 427.55 g/mol, XLogP of -1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8687988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).