N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

C17H24FN5O5S — CID 55698487

IUPACN-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1F
InChIInChI=1S/C17H24FN5O5S/c1-13(24)19-16-12-14(2-3-15(16)18)20-17(25)21-4-6-22(7-5-21)29(26,27)23-8-10-28-11-9-23/h2-3,12H,4-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyQMWQISCCRBUWJA-UHFFFAOYSA-N
MW429.47 g/mol
LogP0.51
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55698487) has the molecular formula C17H24FN5O5S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
PubChem CID55698487
Molecular FormulaC17H24FN5O5S
Molecular Weight429.47 g/mol
Exact Mass429.15
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1F
InChIInChI=1S/C17H24FN5O5S/c1-13(24)19-16-12-14(2-3-15(16)18)20-17(25)21-4-6-22(7-5-21)29(26,27)23-8-10-28-11-9-23/h2-3,12H,4-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyQMWQISCCRBUWJA-UHFFFAOYSA-N
XLogP0.51
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
(1R,2R,6S,7S)-N-(3-acetamido-4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 72855276
N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55818888
N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697487
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697524
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
CID 79156204
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (CID 55698487) is N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is CC(=O)Nc1cc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is QMWQISCCRBUWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O5S/c1-13(24)19-16-12-14(2-3-15(16)18)20-17(25)21-4-6-22(7-5-21)29(26,27)23-8-10-28-11-9-23/h2-3,12H,4-11H2,1H3,(H,19,24)(H,20,25).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55698487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).