N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

C15H21FN2O3S — CID 113066986

IUPACN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)18(11-12-5-7-14(16)8-6-12)10-9-17-15(19)13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyLMGJVQHDYYVCGY-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.50
Rot. Bonds7

About N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (PubChem CID 113066986) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
PubChem CID113066986
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)18(11-12-5-7-14(16)8-6-12)10-9-17-15(19)13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyLMGJVQHDYYVCGY-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406
methyl N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066983
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113067193
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113066450
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066419
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113067675
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (CID 113066986) is N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is CS(=O)(=O)N(CCNC(=O)C1CCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The InChIKey is LMGJVQHDYYVCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-22(20,21)18(11-12-5-7-14(16)8-6-12)10-9-17-15(19)13-3-2-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113066986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).