N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

C23H17FN2O2S2 — CID 91937305

IUPACN-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1c(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)sc2ccccc12
InChIInChI=1S/C23H17FN2O2S2/c1-14-18-4-2-3-5-20(18)30-22(14)19(27)13-29-21-11-6-15(12-25-21)23(28)26-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,26,28)
InChIKeySBKBZJJEXDKXBC-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.97
Rot. Bonds6

About N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 91937305) has the molecular formula C23H17FN2O2S2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID91937305
Molecular FormulaC23H17FN2O2S2
Molecular Weight436.53 g/mol
Exact Mass436.07
IUPAC NameN-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1c(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)sc2ccccc12
InChIInChI=1S/C23H17FN2O2S2/c1-14-18-4-2-3-5-20(18)30-22(14)19(27)13-29-21-11-6-15(12-25-21)23(28)26-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,26,28)
InChIKeySBKBZJJEXDKXBC-UHFFFAOYSA-N
XLogP5.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937265
6-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937266
N-(4-fluorophenyl)-6-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 15980915
6-[2-(1-benzothiophen-5-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937301
N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 91937276
N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
CID 46896585
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
N-(4-fluorophenyl)-6-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide
CID 46897352
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-1-(3-methyl-1-benzothiophen-2-yl)ethanone
CID 111825242
6-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937328
N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115
N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500611

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 91937305) is N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is Cc1c(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)sc2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is SBKBZJJEXDKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S2/c1-14-18-4-2-3-5-20(18)30-22(14)19(27)13-29-21-11-6-15(12-25-21)23(28)26-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91937305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).