N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

C18H27N5O5S — CID 55742297

IUPACN-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C18H27N5O5S/c1-14-3-4-16(19-15(2)24)13-17(14)20-18(25)21-5-7-22(8-6-21)29(26,27)23-9-11-28-12-10-23/h3-4,13H,5-12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyFLSZXLCJUHLKIT-UHFFFAOYSA-N
MW425.51 g/mol
LogP0.68
Rot. Bonds4

About N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55742297) has the molecular formula C18H27N5O5S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
PubChem CID55742297
Molecular FormulaC18H27N5O5S
Molecular Weight425.51 g/mol
Exact Mass425.17
IUPAC NameN-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C18H27N5O5S/c1-14-3-4-16(19-15(2)24)13-17(14)20-18(25)21-5-7-22(8-6-21)29(26,27)23-9-11-28-12-10-23/h3-4,13H,5-12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyFLSZXLCJUHLKIT-UHFFFAOYSA-N
XLogP0.68
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698487
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
N-(4-methyl-3-sulfamoylphenyl)morpholine-4-carboxamide
CID 78993692
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-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (CID 55742297) is N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is FLSZXLCJUHLKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O5S/c1-14-3-4-16(19-15(2)24)13-17(14)20-18(25)21-5-7-22(8-6-21)29(26,27)23-9-11-28-12-10-23/h3-4,13H,5-12H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55742297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).