N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide

C25H21N3O3S2 — CID 88574825

IUPACN-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(-c2cncc(C(=O)N=S(C)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H21N3O3S2/c1-17-11-12-32-23(17)25(30)27-21-8-6-7-18(14-21)19-13-20(16-26-15-19)24(29)28-33(2,31)22-9-4-3-5-10-22/h3-16H,1-2H3,(H,27,30)
InChIKeyDVEKAGMEQSUWPD-UHFFFAOYSA-N
MW475.60 g/mol
LogP5.67
Rot. Bonds5

About N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide

N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 88574825) has the molecular formula C25H21N3O3S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID88574825
Molecular FormulaC25H21N3O3S2
Molecular Weight475.60 g/mol
Exact Mass475.10
IUPAC NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(-c2cncc(C(=O)N=S(C)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H21N3O3S2/c1-17-11-12-32-23(17)25(30)27-21-8-6-7-18(14-21)19-13-20(16-26-15-19)24(29)28-33(2,31)22-9-4-3-5-10-22/h3-16H,1-2H3,(H,27,30)
InChIKeyDVEKAGMEQSUWPD-UHFFFAOYSA-N
XLogP5.67
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
5-[2-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]ethynyl]-N-(methyl-oxo-phenyl-λ6-sulfanylidene)pyridine-3-carboxamide
CID 24953490
5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
CID 141273560
5-[2-[4-[(4-methylbenzoyl)amino]phenyl]ethynyl]-N-(methyl-oxo-phenyl-λ6-sulfanylidene)pyridine-3-carboxamide
CID 24952784
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-[(3-acetamidophenyl)-methyl-oxo-λ6-sulfanylidene]-5-[2-(2-bromophenyl)ethynyl]pyridine-3-carboxamide
CID 87165395
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-trimethylsilylethynyl)pyridine-3-carboxamide
CID 24953135
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907

Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide (CID 88574825) is N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide is Cc1ccsc1C(=O)Nc1cccc(-c2cncc(C(=O)N=S(C)(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is DVEKAGMEQSUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S2/c1-17-11-12-32-23(17)25(30)27-21-8-6-7-18(14-21)19-13-20(16-26-15-19)24(29)28-33(2,31)22-9-4-3-5-10-22/h3-16H,1-2H3,(H,27,30).
What are the key properties of N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide?
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-[3-[(3-methylthiophene-2-carbonyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 88574825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).