N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C20H24FN3O3S — CID 7388134

IUPACN-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-16-7-9-18(10-8-16)28(26,27)24(15-17-5-3-4-6-19(17)21)20(25)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3
InChIKeyGZYFTJBYYNKZFR-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.69
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 7388134) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID7388134
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-16-7-9-18(10-8-16)28(26,27)24(15-17-5-3-4-6-19(17)21)20(25)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3
InChIKeyGZYFTJBYYNKZFR-UHFFFAOYSA-N
XLogP2.69
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 51031036
1-Benzyl-4-[(4-methylphenyl)sulfonyl]piperazine
CID 703908
(2E)-3-(4-Fluorophenyl)-1-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]-2-propen-1-one
CID 2634530
1-(3-Fluorobenzoyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1148014
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946
N-benzyl-4-(4-fluorobenzenesulfonyl)piperazine-1-carbothioamide
CID 2442071
N-benzyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 2442236
N-{[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]carbonyl}-4-methylbenzenesulfonamide
CID 2796174

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 7388134) is N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is GZYFTJBYYNKZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-16-7-9-18(10-8-16)28(26,27)24(15-17-5-3-4-6-19(17)21)20(25)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 7388134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).