1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide

C23H30N2O6S — CID 50827022

IUPAC1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
SMILESCOCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CCC1
InChIInChI=1S/C23H30N2O6S/c1-29-15-5-14-24-22(26)23(12-4-13-23)17-6-8-18(9-7-17)25-32(27,28)21-16-19(30-2)10-11-20(21)31-3/h6-11,16,25H,4-5,12-15H2,1-3H3,(H,24,26)
InChIKeyGNOAENLFDVGGJZ-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.08
Rot. Bonds11

About 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide

1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide (PubChem CID 50827022) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
PubChem CID50827022
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
SMILESCOCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CCC1
InChIInChI=1S/C23H30N2O6S/c1-29-15-5-14-24-22(26)23(12-4-13-23)17-6-8-18(9-7-17)25-32(27,28)21-16-19(30-2)10-11-20(21)31-3/h6-11,16,25H,4-5,12-15H2,1-3H3,(H,24,26)
InChIKeyGNOAENLFDVGGJZ-UHFFFAOYSA-N
XLogP3.08
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 50822417
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclobutane-1-carboxamide
CID 50827173
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 50822322
N-(cyclohexylmethyl)-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822359
1-[4-(benzenesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827004
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880189
N-[(2S)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895379
N-[(2R)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895378
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
N-(3-methoxypropyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378261
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062143

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide (CID 50827022) is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide is COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CCC1.
What is the InChIKey of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
The InChIKey is GNOAENLFDVGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-29-15-5-14-24-22(26)23(12-4-13-23)17-6-8-18(9-7-17)25-32(27,28)21-16-19(30-2)10-11-20(21)31-3/h6-11,16,25H,4-5,12-15H2,1-3H3,(H,24,26).
What are the key properties of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide?
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 50827022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).