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

C22H28N2O6S — CID 50822417

IUPAC1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1
InChIInChI=1S/C22H28N2O6S/c1-28-14-4-13-23-21(25)22(11-12-22)16-5-7-17(8-6-16)24-31(26,27)20-15-18(29-2)9-10-19(20)30-3/h5-10,15,24H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyKOYGVIBOXRZLJV-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.69
Rot. Bonds11

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

1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide (PubChem CID 50822417) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
PubChem CID50822417
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1
InChIInChI=1S/C22H28N2O6S/c1-28-14-4-13-23-21(25)22(11-12-22)16-5-7-17(8-6-16)24-31(26,27)20-15-18(29-2)9-10-19(20)30-3/h5-10,15,24H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyKOYGVIBOXRZLJV-UHFFFAOYSA-N
XLogP2.69
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.69
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)cyclobutane-1-carboxamide
CID 50827022
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-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclobutane-1-carboxamide
CID 50827173
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
N-[(2R)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895378
N-[(2S)-butan-2-yl]-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895379
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880189
N-(3-methoxypropyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378261
1-[4-(benzenesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827004
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062320

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide (CID 50822417) is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide is COCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)CC1.
What is the InChIKey of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The InChIKey is KOYGVIBOXRZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-14-4-13-23-21(25)22(11-12-22)16-5-7-17(8-6-16)24-31(26,27)20-15-18(29-2)9-10-19(20)30-3/h5-10,15,24H,4,11-14H2,1-3H3,(H,23,25).
What are the key properties of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 2.69, 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)cyclopropane-1-carboxamide is sourced from PubChem (CID 50822417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).