N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide

C22H29N3O4S — CID 30129117

IUPACN-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C22H29N3O4S/c1-3-23-13-15-24(16-14-23)22(26)18-29-21-11-9-20(10-12-21)25(30(2,27)28)17-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3
InChIKeyBNYFUPBQHRNIAT-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.20
Rot. Bonds8

About N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide

N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide (PubChem CID 30129117) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
PubChem CID30129117
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C22H29N3O4S/c1-3-23-13-15-24(16-14-23)22(26)18-29-21-11-9-20(10-12-21)25(30(2,27)28)17-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3
InChIKeyBNYFUPBQHRNIAT-UHFFFAOYSA-N
XLogP2.20
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 30131376
N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
CID 21367109
N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396
N-benzyl-N-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129081
N-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 43888534
N-benzyl-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 3667650
ethyl 1-[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]piperidine-4-carboxylate
CID 30130897
N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide
CID 21173908
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
N-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-N-benzyl-4-methylbenzenesulfonamide
CID 99961055
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)methanesulfonamide
CID 113155268
N-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 43888578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide (CID 30129117) is N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide is CCN1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide?
The InChIKey is BNYFUPBQHRNIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-23-13-15-24(16-14-23)22(26)18-29-21-11-9-20(10-12-21)25(30(2,27)28)17-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3.
What are the key properties of N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide?
N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide has a molecular weight of 431.56 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 30129117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).