N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide

C20H24FN3O4S — CID 30148628

IUPACN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O4S/c1-22(29(3,26)27)17-8-9-19(28-2)18(14-17)20(25)24-12-10-23(11-13-24)16-6-4-15(21)5-7-16/h4-9,14H,10-13H2,1-3H3
InChIKeyHPDHAPFBKOSMAO-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.19
Rot. Bonds5

About N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide

N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide (PubChem CID 30148628) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide
PubChem CID30148628
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O4S/c1-22(29(3,26)27)17-8-9-19(28-2)18(14-17)20(25)24-12-10-23(11-13-24)16-6-4-15(21)5-7-16/h4-9,14H,10-13H2,1-3H3
InChIKeyHPDHAPFBKOSMAO-UHFFFAOYSA-N
XLogP2.19
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148664
ethyl 4-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperazine-1-carboxylate
CID 30148645
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029328
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
CID 28560777
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 27241577
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide (CID 30148628) is N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide is COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide?
The InChIKey is HPDHAPFBKOSMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-22(29(3,26)27)17-8-9-19(28-2)18(14-17)20(25)24-12-10-23(11-13-24)16-6-4-15(21)5-7-16/h4-9,14H,10-13H2,1-3H3.
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide?
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide has a molecular weight of 421.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 30148628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).