N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide

C19H21FN2O3S — CID 53110667

IUPACN-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccccc3F)CCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)22-16-9-7-15(8-10-16)19(11-4-12-19)18(23)21-13-14-5-2-3-6-17(14)20/h2-3,5-10,22H,4,11-13H2,1H3,(H,21,23)
InChIKeyCZQWNZKYNIRLQS-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.94
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide

N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide (PubChem CID 53110667) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide
PubChem CID53110667
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccccc3F)CCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)22-16-9-7-15(8-10-16)19(11-4-12-19)18(23)21-13-14-5-2-3-6-17(14)20/h2-3,5-10,22H,4,11-13H2,1H3,(H,21,23)
InChIKeyCZQWNZKYNIRLQS-UHFFFAOYSA-N
XLogP2.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 53110497
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 53110671
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110526
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438414
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164
1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 50822139
N-[[2-(methoxymethyl)phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 33068095
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide (CID 53110667) is N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide is CS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccccc3F)CCC2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide?
The InChIKey is CZQWNZKYNIRLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-26(24,25)22-16-9-7-15(8-10-16)19(11-4-12-19)18(23)21-13-14-5-2-3-6-17(14)20/h2-3,5-10,22H,4,11-13H2,1H3,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide?
N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 53110667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).