N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

C16H25N3O5S — CID 18675482

IUPACN-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCCCCONC(=O)C1CNCCN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H25N3O5S/c1-3-4-11-24-18-16(20)15-12-17-9-10-19(15)25(21,22)14-7-5-13(23-2)6-8-14/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyZVDURAONSXGHDE-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.51
Rot. Bonds8

About N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 18675482) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID18675482
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCCCCONC(=O)C1CNCCN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H25N3O5S/c1-3-4-11-24-18-16(20)15-12-17-9-10-19(15)25(21,22)14-7-5-13(23-2)6-8-14/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyZVDURAONSXGHDE-UHFFFAOYSA-N
XLogP0.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 166637066
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
methyl 2-[[1-(benzenesulfonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 78455363
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
CID 62672257
methyl (2R,4E)-1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-yliminopyrrolidine-2-carboxylate
CID 10550994
(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 141017724
(2R)-N-[(4-propylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
CID 141192951
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
4-butyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-3-oxopiperazine-2-carboxamide
CID 90726149

Frequently Asked Questions

What is the IUPAC name of N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 18675482) is N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is CCCCONC(=O)C1CNCCN1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is ZVDURAONSXGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-3-4-11-24-18-16(20)15-12-17-9-10-19(15)25(21,22)14-7-5-13(23-2)6-8-14/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 18675482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).