N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide

C18H16FN3O3S2 — CID 24830571

IUPACN-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1
InChIInChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
InChIKeyIVWXFGRLNHCKNV-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.50
Rot. Bonds6

About N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide

N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide (PubChem CID 24830571) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
PubChem CID24830571
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1
InChIInChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
InChIKeyIVWXFGRLNHCKNV-UHFFFAOYSA-N
XLogP3.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-thiophen-2-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16223640
N-(3,5-dimethylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 11725698
N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
CID 24830569
N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
CID 24830882
N-Cyclopentyl-2-pyridin-4-yl-2-[(2-thiophen-2-yl-acetyl)-m-tolyl-amino]-acetamide
CID 3202606
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-thiophen-3-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 118708168
2-(4-fluorophenyl)-N-[5-(4-pyridin-3-ylthiophen-2-yl)-3-pyridinyl]acetamide
CID 145988875
N-[3-[2-(2-methyl-4-pyridinyl)-4-oxo-5H-thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 56667018
7-Phenyl-8-[(pyridin-4-YL)methyl]-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
CID 110201974
2-Thiophenecarboxamide, N-((4-((3-(trifluoromethyl)phenyl)amino)-3-pyridinyl)sulfonyl)-
CID 3043797
4-(3-fluorophenyl)-3-[methyl(4-methylphenyl)sulfamoyl]-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide
CID 30850251
N-tert-butyl-2-(4-fluoro-N-(2-pyridin-3-ylacetyl)anilino)-2-thiophen-3-ylacetamide
CID 44634819

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide (CID 24830571) is N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1.
What is the InChIKey of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The InChIKey is IVWXFGRLNHCKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23).
What are the key properties of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 24830571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).