N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide

C19H16Cl2FN3O3S2 — CID 169144570

IUPACN-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(-c3ncc(F)cc3Cl)c(C)s2)c1
InChIInChI=1S/C19H16Cl2FN3O3S2/c1-3-30(27,28)25-14-5-11(20)4-13(7-14)24-19(26)17-8-15(10(2)29-17)18-16(21)6-12(22)9-23-18/h4-9,25H,3H2,1-2H3,(H,24,26)
InChIKeyNKYPHKGKIYPQHD-UHFFFAOYSA-N
MW488.39 g/mol
LogP5.58
Rot. Bonds6

About N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide

N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide (PubChem CID 169144570) has the molecular formula C19H16Cl2FN3O3S2 and a molecular weight of 488.39 g/mol. Its IUPAC name is N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide
PubChem CID169144570
Molecular FormulaC19H16Cl2FN3O3S2
Molecular Weight488.39 g/mol
Exact Mass487.00
IUPAC NameN-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(-c3ncc(F)cc3Cl)c(C)s2)c1
InChIInChI=1S/C19H16Cl2FN3O3S2/c1-3-30(27,28)25-14-5-11(20)4-13(7-14)24-19(26)17-8-15(10(2)29-17)18-16(21)6-12(22)9-23-18/h4-9,25H,3H2,1-2H3,(H,24,26)
InChIKeyNKYPHKGKIYPQHD-UHFFFAOYSA-N
XLogP5.58
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 169145005
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide
CID 169144478
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-fluoro-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 169144424
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 172540632
N-[3-chloro-5-(methylsulfanylamino)phenyl]-4-[5-fluoro-3-[1-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-5-methylthiophene-2-carboxamide;ethane
CID 176708542
N-[3-chloro-5-(methylsulfanylamino)phenyl]-4-[5-(3,3-difluoroazetidin-1-yl)-3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 176708517
N-[3-chloro-5-(methanesulfonamido)phenyl]thieno[2,3-c]pyridine-2-carboxamide
CID 169144949
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 169144861
N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
CID 116698668
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide (CID 169144570) is N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide is CCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(-c3ncc(F)cc3Cl)c(C)s2)c1.
What is the InChIKey of N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The InChIKey is NKYPHKGKIYPQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O3S2/c1-3-30(27,28)25-14-5-11(20)4-13(7-14)24-19(26)17-8-15(10(2)29-17)18-16(21)6-12(22)9-23-18/h4-9,25H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide?
N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide has a molecular weight of 488.39 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 169144570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).