N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide

C16H18FNO3S2 — CID 90497105

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C16H18FNO3S2/c17-14-7-3-12(4-8-14)10-23(20,21)18-11-16(19,13-5-6-13)15-2-1-9-22-15/h1-4,7-9,13,18-19H,5-6,10-11H2
InChIKeyZLUUHCYRDIXVJL-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.60
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 90497105) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID90497105
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C16H18FNO3S2/c17-14-7-3-12(4-8-14)10-23(20,21)18-11-16(19,13-5-6-13)15-2-1-9-22-15/h1-4,7-9,13,18-19H,5-6,10-11H2
InChIKeyZLUUHCYRDIXVJL-UHFFFAOYSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71781727
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
CID 90497139
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
CID 90497128
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95982759
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
CID 71781761
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide (CID 90497105) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is ZLUUHCYRDIXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S2/c17-14-7-3-12(4-8-14)10-23(20,21)18-11-16(19,13-5-6-13)15-2-1-9-22-15/h1-4,7-9,13,18-19H,5-6,10-11H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 90497105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).