1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide

C21H26N2O3S — CID 53110686

IUPAC1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(C2(C(=O)NCc3cccc(C)c3)CCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-27(25,26)23-19-10-8-18(9-11-19)21(12-5-13-21)20(24)22-15-17-7-4-6-16(2)14-17/h4,6-11,14,23H,3,5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyYOZDJNJGAMSWPN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.49
Rot. Bonds7

About 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide

1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 53110686) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID53110686
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(C2(C(=O)NCc3cccc(C)c3)CCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-27(25,26)23-19-10-8-18(9-11-19)21(12-5-13-21)20(24)22-15-17-7-4-6-16(2)14-17/h4,6-11,14,23H,3,5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyYOZDJNJGAMSWPN-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 53110671
ethyl 2-[4-[1-(benzylcarbamoyl)cyclobutyl]anilino]-2-oxoacetate
CID 50827081
N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110526
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
N-benzyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061887
N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide
CID 53110667
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246489

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide (CID 53110686) is 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide is CCS(=O)(=O)Nc1ccc(C2(C(=O)NCc3cccc(C)c3)CCC2)cc1.
What is the InChIKey of 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is YOZDJNJGAMSWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-27(25,26)23-19-10-8-18(9-11-19)21(12-5-13-21)20(24)22-15-17-7-4-6-16(2)14-17/h4,6-11,14,23H,3,5,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 53110686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).