N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide

C20H23FN4O4S — CID 1445033

IUPACN-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN4O4S/c1-14(26)22-16-5-7-19(8-6-16)30(28,29)25-11-9-17(10-12-25)23-20(27)24-18-4-2-3-15(21)13-18/h2-8,13,17H,9-12H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyPAJKKAXGOKDDLG-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.76
Rot. Bonds5

About N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1445033) has the molecular formula C20H23FN4O4S and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID1445033
Molecular FormulaC20H23FN4O4S
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC NameN-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN4O4S/c1-14(26)22-16-5-7-19(8-6-16)30(28,29)25-11-9-17(10-12-25)23-20(27)24-18-4-2-3-15(21)13-18/h2-8,13,17H,9-12H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyPAJKKAXGOKDDLG-UHFFFAOYSA-N
XLogP2.76
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide (CID 1445033) is N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is PAJKKAXGOKDDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4S/c1-14(26)22-16-5-7-19(8-6-16)30(28,29)25-11-9-17(10-12-25)23-20(27)24-18-4-2-3-15(21)13-18/h2-8,13,17H,9-12H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 434.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1445033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).