N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide

C19H16FNO3S2 — CID 23372811

IUPACN-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1cc(-c2ccc(NS(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO3S2/c1-12(22)18-11-17(19(25-18)14-3-7-15(20)8-4-14)13-5-9-16(10-6-13)21-26(2,23)24/h3-11,21H,1-2H3
InChIKeyXYWLMKZQFLEIOS-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.80
Rot. Bonds5

About N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide

N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide (PubChem CID 23372811) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide
PubChem CID23372811
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC NameN-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1cc(-c2ccc(NS(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO3S2/c1-12(22)18-11-17(19(25-18)14-3-7-15(20)8-4-14)13-5-9-16(10-6-13)21-26(2,23)24/h3-11,21H,1-2H3
InChIKeyXYWLMKZQFLEIOS-UHFFFAOYSA-N
XLogP4.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-2-methanesulfonylphenyl)-5-fluoro-3-methylbenzo[b]thiophene-2-sulfonamide
CID 10366027
S-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11501517
S-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11588699
N-(2-acetyl-5-phenyl-3-thienyl)benzenesulfonamide
CID 2809113
(4-Aminophenyl)(2-thienyl)methanone
CID 459408
2-(4-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl trithiocarbonate
CID 24894639
N-[2-acetyl-5-(4-fluorophenyl)-3-thienyl]benzenesulfonamide
CID 2809107
N-(2-acetyl-5-phenyl-3-thienyl)-4-methylbenzenesulfonamide
CID 2809114
3-((4-Fluorophenyl)sulfonamido)-5-phenylthiophene-2-carboxamide
CID 2807839
N-[2-acetyl-5-(4-fluorophenyl)-3-thienyl]-4-methylbenzenesulfonamide
CID 2809108
1-[5-(4-Aminophenyl)thiophen-2-yl]ethan-1-one
CID 4962144
4-[5-[4-(Dimethylamino)phenyl]-4-methyl-2-propanoylthiophen-3-yl]benzenesulfonamide
CID 60168801

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide (CID 23372811) is N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide is CC(=O)c1cc(-c2ccc(NS(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide?
The InChIKey is XYWLMKZQFLEIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c1-12(22)18-11-17(19(25-18)14-3-7-15(20)8-4-14)13-5-9-16(10-6-13)21-26(2,23)24/h3-11,21H,1-2H3.
What are the key properties of N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide?
N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide has a molecular weight of 389.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-acetyl-2-(4-fluorophenyl)thiophen-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 23372811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).