N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide

C26H34N2O5S — CID 50827157

IUPACN-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CCC3)cc2)cc1OC
InChIInChI=1S/C26H34N2O5S/c1-32-23-14-13-22(17-24(23)33-2)34(30,31)28-21-11-9-20(10-12-21)26(15-6-16-26)25(29)27-18-19-7-4-3-5-8-19/h9-14,17,19,28H,3-8,15-16,18H2,1-2H3,(H,27,29)
InChIKeyRUXRACOJHIYVBT-UHFFFAOYSA-N
MW486.63 g/mol
LogP4.62
Rot. Bonds9

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

N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide (PubChem CID 50827157) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide
PubChem CID50827157
Molecular FormulaC26H34N2O5S
Molecular Weight486.63 g/mol
Exact Mass486.22
IUPAC NameN-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CCC3)cc2)cc1OC
InChIInChI=1S/C26H34N2O5S/c1-32-23-14-13-22(17-24(23)33-2)34(30,31)28-21-11-9-20(10-12-21)26(15-6-16-26)25(29)27-18-19-7-4-3-5-8-19/h9-14,17,19,28H,3-8,15-16,18H2,1-2H3,(H,27,29)
InChIKeyRUXRACOJHIYVBT-UHFFFAOYSA-N
XLogP4.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822359
N-(cyclohexylmethyl)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062216
N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378300
N-(cyclohexylmethyl)-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062211
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880189
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclobutane-1-carboxamide
CID 50827173
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827022
1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 50827034
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide (CID 50827157) is N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide is COc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CCC3)cc2)cc1OC.
What is the InChIKey of N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide?
The InChIKey is RUXRACOJHIYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-32-23-14-13-22(17-24(23)33-2)34(30,31)28-21-11-9-20(10-12-21)26(15-6-16-26)25(29)27-18-19-7-4-3-5-8-19/h9-14,17,19,28H,3-8,15-16,18H2,1-2H3,(H,27,29).
What are the key properties of N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide?
N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide has a molecular weight of 486.63 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 50827157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).