N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide

C18H19NO2S — CID 95619879

IUPACN-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
SMILESC[S@@](=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1
InChIInChI=1S/C18H19NO2S/c1-22(21)16-10-5-9-15(13-16)19-17(20)18(11-6-12-18)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,20)/t22-/m1/s1
InChIKeyWSAGWXWRZCKQCO-JOCHJYFZSA-N
MW313.42 g/mol
LogP3.48
Rot. Bonds4

About N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide

N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 95619879) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID95619879
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
SMILESC[S@@](=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1
InChIInChI=1S/C18H19NO2S/c1-22(21)16-10-5-9-15(13-16)19-17(20)18(11-6-12-18)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,20)/t22-/m1/s1
InChIKeyWSAGWXWRZCKQCO-JOCHJYFZSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
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N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911
ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 4162614
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide (CID 95619879) is N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide is C[S@@](=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1.
What is the InChIKey of N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is WSAGWXWRZCKQCO-JOCHJYFZSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-22(21)16-10-5-9-15(13-16)19-17(20)18(11-6-12-18)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,20)/t22-/m1/s1.
What are the key properties of N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide?
N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 95619879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).