N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide

C20H31N3O5S — CID 55909256

IUPACN,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H31N3O5S/c1-4-22(5-2)29(26,27)23-15-13-21(14-16-23)20(25)8-6-7-19(24)17-9-11-18(28-3)12-10-17/h9-12H,4-8,13-16H2,1-3H3
InChIKeyPGCLAWXCILENTI-UHFFFAOYSA-N
MW425.55 g/mol
LogP1.78
Rot. Bonds10

About N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide

N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide (PubChem CID 55909256) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide
PubChem CID55909256
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC NameN,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H31N3O5S/c1-4-22(5-2)29(26,27)23-15-13-21(14-16-23)20(25)8-6-7-19(24)17-9-11-18(28-3)12-10-17/h9-12H,4-8,13-16H2,1-3H3
InChIKeyPGCLAWXCILENTI-UHFFFAOYSA-N
XLogP1.78
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
1-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119415930
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119662784
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
4-[4-(4-bromophenyl)-4-oxobutanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006593
N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 45372155
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120818369
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide (CID 55909256) is N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide?
The InChIKey is PGCLAWXCILENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-4-22(5-2)29(26,27)23-15-13-21(14-16-23)20(25)8-6-7-19(24)17-9-11-18(28-3)12-10-17/h9-12H,4-8,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide has a molecular weight of 425.55 g/mol, XLogP of 1.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55909256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).