2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide

C15H23N3O4S — CID 110750517

IUPAC2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)C(N)=O)CC2)c(C)c1
InChIInChI=1S/C15H23N3O4S/c1-11-10-13(22-3)4-5-14(11)23(20,21)18-8-6-17(7-9-18)12(2)15(16)19/h4-5,10,12H,6-9H2,1-3H3,(H2,16,19)
InChIKeyMPLQNRHXTXZANP-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.18
Rot. Bonds5

About 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide

2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 110750517) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID110750517
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)C(N)=O)CC2)c(C)c1
InChIInChI=1S/C15H23N3O4S/c1-11-10-13(22-3)4-5-14(11)23(20,21)18-8-6-17(7-9-18)12(2)15(16)19/h4-5,10,12H,6-9H2,1-3H3,(H2,16,19)
InChIKeyMPLQNRHXTXZANP-UHFFFAOYSA-N
XLogP0.18
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820
(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9398785
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349475
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 46508723
cyclobutyl-[4-(4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799397
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534
2-(3-hydroxyphenoxy)-1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2052018
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 24680018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 110750517) is 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide is COc1ccc(S(=O)(=O)N2CCN(C(C)C(N)=O)CC2)c(C)c1.
What is the InChIKey of 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is MPLQNRHXTXZANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-10-13(22-3)4-5-14(11)23(20,21)18-8-6-17(7-9-18)12(2)15(16)19/h4-5,10,12H,6-9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 341.43 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 110750517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).