4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide

C19H22FN5O4S — CID 55684313

IUPAC4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN5O4S/c20-14-4-6-15(7-5-14)22-18(26)13-24-8-10-25(11-9-24)19(27)23-16-2-1-3-17(12-16)30(21,28)29/h1-7,12H,8-11,13H2,(H,22,26)(H,23,27)(H2,21,28,29)
InChIKeyMSQSDQZRHLNBMR-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.26
Rot. Bonds5

About 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide

4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 55684313) has the molecular formula C19H22FN5O4S and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID55684313
Molecular FormulaC19H22FN5O4S
Molecular Weight435.48 g/mol
Exact Mass435.14
IUPAC Name4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H22FN5O4S/c20-14-4-6-15(7-5-14)22-18(26)13-24-8-10-25(11-9-24)19(27)23-16-2-1-3-17(12-16)30(21,28)29/h1-7,12H,8-11,13H2,(H,22,26)(H,23,27)(H2,21,28,29)
InChIKeyMSQSDQZRHLNBMR-UHFFFAOYSA-N
XLogP1.26
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
CID 9020337

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide (CID 55684313) is 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1cccc(NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is MSQSDQZRHLNBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4S/c20-14-4-6-15(7-5-14)22-18(26)13-24-8-10-25(11-9-24)19(27)23-16-2-1-3-17(12-16)30(21,28)29/h1-7,12H,8-11,13H2,(H,22,26)(H,23,27)(H2,21,28,29).
What are the key properties of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide?
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55684313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).