2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide

C18H28N4O5S — CID 8687525

IUPAC2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N4O5S/c1-3-8-19-17(23)13-20-18(24)14-21-9-11-22(12-10-21)28(25,26)16-6-4-15(27-2)5-7-16/h4-7H,3,8-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyQICQDSPEJUGJSM-UHFFFAOYSA-N
MW412.51 g/mol
LogP-0.36
Rot. Bonds9

About 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide

2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide (PubChem CID 8687525) has the molecular formula C18H28N4O5S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
PubChem CID8687525
Molecular FormulaC18H28N4O5S
Molecular Weight412.51 g/mol
Exact Mass412.18
IUPAC Name2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N4O5S/c1-3-8-19-17(23)13-20-18(24)14-21-9-11-22(12-10-21)28(25,26)16-6-4-15(27-2)5-7-16/h4-7H,3,8-14H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyQICQDSPEJUGJSM-UHFFFAOYSA-N
XLogP-0.36
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378
N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920699
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide (CID 8687525) is 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide?
The InChIKey is QICQDSPEJUGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5S/c1-3-8-19-17(23)13-20-18(24)14-21-9-11-22(12-10-21)28(25,26)16-6-4-15(27-2)5-7-16/h4-7H,3,8-14H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide?
2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide has a molecular weight of 412.51 g/mol, XLogP of -0.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8687525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).