N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C18H18FN3O3S3 — CID 38274347

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)s1
InChIInChI=1S/C18H18FN3O3S3/c1-28(24,25)20-9-8-14-6-7-16(27-14)17(23)21-18-22(10-11-26-18)12-13-4-2-3-5-15(13)19/h2-7,10-11,20H,8-9,12H2,1H3/b21-18-
InChIKeyGUNLVDYYORHOLJ-UZYVYHOESA-N
MW439.56 g/mol
LogP2.63
Rot. Bonds7

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 38274347) has the molecular formula C18H18FN3O3S3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID38274347
Molecular FormulaC18H18FN3O3S3
Molecular Weight439.56 g/mol
Exact Mass439.05
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)s1
InChIInChI=1S/C18H18FN3O3S3/c1-28(24,25)20-9-8-14-6-7-16(27-14)17(23)21-18-22(10-11-26-18)12-13-4-2-3-5-15(13)19/h2-7,10-11,20H,8-9,12H2,1H3/b21-18-
InChIKeyGUNLVDYYORHOLJ-UZYVYHOESA-N
XLogP2.63
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 38274347) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)s1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is GUNLVDYYORHOLJ-UZYVYHOESA-N. The full InChI is InChI=1S/C18H18FN3O3S3/c1-28(24,25)20-9-8-14-6-7-16(27-14)17(23)21-18-22(10-11-26-18)12-13-4-2-3-5-15(13)19/h2-7,10-11,20H,8-9,12H2,1H3/b21-18-.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 38274347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).