N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide

C17H26FN3O3S — CID 113148483

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26FN3O3S/c1-14(2)12-21(25(3,23)24)13-17(22)20-10-8-19(9-11-20)16-6-4-15(18)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyOTPNVQMVXBTOIR-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.39
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide (PubChem CID 113148483) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
PubChem CID113148483
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26FN3O3S/c1-14(2)12-21(25(3,23)24)13-17(22)20-10-8-19(9-11-20)16-6-4-15(18)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyOTPNVQMVXBTOIR-UHFFFAOYSA-N
XLogP1.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148449
N-(3,5-dimethylphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1163686
4-chloro-N-ethyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2983406
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148481
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
N-(3-chloro-4-methylphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1321162
N-(2,3-dichlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1320179
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-4-pyrrolidin-1-ylpentan-1-one
CID 91785686
N-[2-(4-fluorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113152017
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153244

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide (CID 113148483) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide is CC(C)CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is OTPNVQMVXBTOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-14(2)12-21(25(3,23)24)13-17(22)20-10-8-19(9-11-20)16-6-4-15(18)5-7-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 371.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 113148483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).