N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

C18H28N4O6S — CID 55697487

IUPACN-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H28N4O6S/c1-26-14-15-28-17-4-2-16(3-5-17)19-18(23)20-6-8-21(9-7-20)29(24,25)22-10-12-27-13-11-22/h2-5H,6-15H2,1H3,(H,19,23)
InChIKeyKFZAKLKGEJAOKX-UHFFFAOYSA-N
MW428.51 g/mol
LogP0.44
Rot. Bonds7

About N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55697487) has the molecular formula C18H28N4O6S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
PubChem CID55697487
Molecular FormulaC18H28N4O6S
Molecular Weight428.51 g/mol
Exact Mass428.17
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H28N4O6S/c1-26-14-15-28-17-4-2-16(3-5-17)19-18(23)20-6-8-21(9-7-20)29(24,25)22-10-12-27-13-11-22/h2-5H,6-15H2,1H3,(H,19,23)
InChIKeyKFZAKLKGEJAOKX-UHFFFAOYSA-N
XLogP0.44
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55818888
N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55820039
N-[4-(oxiran-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 71370344
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698487
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide
CID 110346706
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (CID 55697487) is N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is COCCOc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is KFZAKLKGEJAOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O6S/c1-26-14-15-28-17-4-2-16(3-5-17)19-18(23)20-6-8-21(9-7-20)29(24,25)22-10-12-27-13-11-22/h2-5H,6-15H2,1H3,(H,19,23).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55697487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).