N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide

C15H16FNO3S3 — CID 17495499

IUPACN-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNO3S3/c1-23(19,20)17-9-8-13-6-7-15(22-13)14(18)10-21-12-4-2-11(16)3-5-12/h2-7,17H,8-10H2,1H3
InChIKeyXKXFUKSSGBQGKP-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.95
Rot. Bonds8

About N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 17495499) has the molecular formula C15H16FNO3S3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID17495499
Molecular FormulaC15H16FNO3S3
Molecular Weight373.50 g/mol
Exact Mass373.03
IUPAC NameN-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNO3S3/c1-23(19,20)17-9-8-13-6-7-15(22-13)14(18)10-21-12-4-2-11(16)3-5-12/h2-7,17H,8-10H2,1H3
InChIKeyXKXFUKSSGBQGKP-UHFFFAOYSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide (CID 17495499) is N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)CSc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is XKXFUKSSGBQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S3/c1-23(19,20)17-9-8-13-6-7-15(22-13)14(18)10-21-12-4-2-11(16)3-5-12/h2-7,17H,8-10H2,1H3.
What are the key properties of N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-fluorophenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 17495499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).