N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

C20H25FN4O3S — CID 55680100

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25FN4O3S/c1-2-24(15-17-5-3-6-18(21)13-17)20(26)16-23-9-11-25(12-10-23)29(27,28)19-7-4-8-22-14-19/h3-8,13-14H,2,9-12,15-16H2,1H3
InChIKeyDHFPFUXWYHDSIN-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.58
Rot. Bonds7

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 55680100) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID55680100
Molecular FormulaC20H25FN4O3S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25FN4O3S/c1-2-24(15-17-5-3-6-18(21)13-17)20(26)16-23-9-11-25(12-10-23)29(27,28)19-7-4-8-22-14-19/h3-8,13-14H,2,9-12,15-16H2,1H3
InChIKeyDHFPFUXWYHDSIN-UHFFFAOYSA-N
XLogP1.58
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 134031963
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39011334
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60585129
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063733
tert-butyl N-[1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 52682416
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 78787610
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide (CID 55680100) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is CCN(Cc1cccc(F)c1)C(=O)CN1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is DHFPFUXWYHDSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c1-2-24(15-17-5-3-6-18(21)13-17)20(26)16-23-9-11-25(12-10-23)29(27,28)19-7-4-8-22-14-19/h3-8,13-14H,2,9-12,15-16H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 55680100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).