N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide

C18H18FNO3S2 — CID 66907199

IUPACN-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(F)c(OC)c1)c1cc2ccccc2s1
InChIInChI=1S/C18H18FNO3S2/c1-3-25(21,22)20(12-13-8-9-15(19)16(10-13)23-2)18-11-14-6-4-5-7-17(14)24-18/h4-11H,3,12H2,1-2H3
InChIKeyTVSRVHYXEAHQLQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.41
Rot. Bonds6

About N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide

N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide (PubChem CID 66907199) has the molecular formula C18H18FNO3S2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide
PubChem CID66907199
Molecular FormulaC18H18FNO3S2
Molecular Weight379.48 g/mol
Exact Mass379.07
IUPAC NameN-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(F)c(OC)c1)c1cc2ccccc2s1
InChIInChI=1S/C18H18FNO3S2/c1-3-25(21,22)20(12-13-8-9-15(19)16(10-13)23-2)18-11-14-6-4-5-7-17(14)24-18/h4-11H,3,12H2,1-2H3
InChIKeyTVSRVHYXEAHQLQ-UHFFFAOYSA-N
XLogP4.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide (CID 66907199) is N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(F)c(OC)c1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide?
The InChIKey is TVSRVHYXEAHQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S2/c1-3-25(21,22)20(12-13-8-9-15(19)16(10-13)23-2)18-11-14-6-4-5-7-17(14)24-18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide?
N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 66907199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).