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

C27H30N2O5S — CID 50822322

IUPAC1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C27H30N2O5S/c1-33-23-14-15-24(34-2)25(19-23)35(31,32)29-22-12-10-21(11-13-22)27(16-17-27)26(30)28-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-15,19,29H,6,9,16-18H2,1-2H3,(H,28,30)
InChIKeyWMBZPVCRHXYBPI-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.29
Rot. Bonds11

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

1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 50822322) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID50822322
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C27H30N2O5S/c1-33-23-14-15-24(34-2)25(19-23)35(31,32)29-22-12-10-21(11-13-22)27(16-17-27)26(30)28-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-15,19,29H,6,9,16-18H2,1-2H3,(H,28,30)
InChIKeyWMBZPVCRHXYBPI-UHFFFAOYSA-N
XLogP4.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827022
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
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
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 20971650
1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062286
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
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-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide (CID 50822322) is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)c1.
What is the InChIKey of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is WMBZPVCRHXYBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-33-23-14-15-24(34-2)25(19-23)35(31,32)29-22-12-10-21(11-13-22)27(16-17-27)26(30)28-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-15,19,29H,6,9,16-18H2,1-2H3,(H,28,30).
What are the key properties of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50822322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).