N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide

C23H31N3O4S — CID 53286864

IUPACN-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide
SMILESCCOc1ccccc1N(CCCC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O4S/c1-3-30-22-13-8-7-12-21(22)26(31(2,28)29)15-9-14-23(27)25-18-16-24(17-19-25)20-10-5-4-6-11-20/h4-8,10-13H,3,9,14-19H2,1-2H3
InChIKeyUWCIALBNQGXGCN-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.98
Rot. Bonds9

About N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide

N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide (PubChem CID 53286864) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide
PubChem CID53286864
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide
SMILESCCOc1ccccc1N(CCCC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O4S/c1-3-30-22-13-8-7-12-21(22)26(31(2,28)29)15-9-14-23(27)25-18-16-24(17-19-25)20-10-5-4-6-11-20/h4-8,10-13H,3,9,14-19H2,1-2H3
InChIKeyUWCIALBNQGXGCN-UHFFFAOYSA-N
XLogP2.98
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144795
N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53288568
N-(2-ethoxyphenyl)-4-methylsulfanyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2974007
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286671
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-N-(4-fluorophenyl)methanesulfonamide
CID 21368273
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl]-N-(2-fluorophenyl)methanesulfonamide
CID 100684931
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide (CID 53286864) is N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide is CCOc1ccccc1N(CCCC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide?
The InChIKey is UWCIALBNQGXGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-3-30-22-13-8-7-12-21(22)26(31(2,28)29)15-9-14-23(27)25-18-16-24(17-19-25)20-10-5-4-6-11-20/h4-8,10-13H,3,9,14-19H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide?
N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide has a molecular weight of 445.59 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide is sourced from PubChem (CID 53286864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).