1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide

C26H35N3O4S — CID 50827206

IUPAC1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCN4CCOCC4)CCC3)cc2)c1
InChIInChI=1S/C26H35N3O4S/c1-20-5-6-21(2)24(19-20)34(31,32)28-23-9-7-22(8-10-23)26(11-3-12-26)25(30)27-13-4-14-29-15-17-33-18-16-29/h5-10,19,28H,3-4,11-18H2,1-2H3,(H,27,30)
InChIKeySXIRUWASRFGADM-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.36
Rot. Bonds9

About 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide

1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 50827206) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
PubChem CID50827206
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCN4CCOCC4)CCC3)cc2)c1
InChIInChI=1S/C26H35N3O4S/c1-20-5-6-21(2)24(19-20)34(31,32)28-23-9-7-22(8-10-23)26(11-3-12-26)25(30)27-13-4-14-29-15-17-33-18-16-29/h5-10,19,28H,3-4,11-18H2,1-2H3,(H,27,30)
InChIKeySXIRUWASRFGADM-UHFFFAOYSA-N
XLogP3.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.36
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-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061993
1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 46378125
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 46378229
1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 46378128
1-[4-(methanesulfonamido)phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 50822356
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062005
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324
1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 50827153
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062183

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide (CID 50827206) is 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCN4CCOCC4)CCC3)cc2)c1.
What is the InChIKey of 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is SXIRUWASRFGADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-20-5-6-21(2)24(19-20)34(31,32)28-23-9-7-22(8-10-23)26(11-3-12-26)25(30)27-13-4-14-29-15-17-33-18-16-29/h5-10,19,28H,3-4,11-18H2,1-2H3,(H,27,30).
What are the key properties of 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide?
1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 50827206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).