N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide

C22H24N4O3S4 — CID 122635080

IUPACN-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N
InChIInChI=1S/C22H24N4O3S4/c1-3-4-11-32(27)22-19(23)18-16(12-17(26-21(18)31-22)20-24-9-10-30-20)15-7-5-14(6-8-15)13-25-33(2,28)29/h5-10,12,25H,3-4,11,13,23H2,1-2H3
InChIKeyXCDFSSDRIZPGES-UHFFFAOYSA-N
MW520.73 g/mol
LogP4.63
Rot. Bonds9

About N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide

N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 122635080) has the molecular formula C22H24N4O3S4 and a molecular weight of 520.73 g/mol. Its IUPAC name is N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID122635080
Molecular FormulaC22H24N4O3S4
Molecular Weight520.73 g/mol
Exact Mass520.07
IUPAC NameN-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N
InChIInChI=1S/C22H24N4O3S4/c1-3-4-11-32(27)22-19(23)18-16(12-17(26-21(18)31-22)20-24-9-10-30-20)15-7-5-14(6-8-15)13-25-33(2,28)29/h5-10,12,25H,3-4,11,13,23H2,1-2H3
InChIKeyXCDFSSDRIZPGES-UHFFFAOYSA-N
XLogP4.63
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.73
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-(Butane-1-sulfinyl)-4-phenyl-6-(thiophen-2-yl)thieno(2,3-b)pyridin-3-amine
CID 3337839
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092
2-(Butane-1-sulfonyl)-4-phenyl-6-(thiophen-2-YL)thieno[2,3-B]pyridin-3-amine
CID 3337991
N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194568
2-Methanesulfonyl-4-phenyl-6-thiophen-2-yl-thieno[2,3-b]pyridin-3-ylamine
CID 654955
6-(4-Methylphenyl)-2-methylsulfonyl-4-phenylthieno[2,3-b]pyridin-3-amine
CID 1316236
US9790233, ID SW208079
CID 3337838
N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 25013557
6-[3-cyano-5-fluoro-6-methyl-1-(2-thienyl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66731283
2-Pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188203
2-Hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188204
2-Butylsulfinyl-4-phenyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 90051619

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 122635080) is N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide is CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N.
What is the InChIKey of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is XCDFSSDRIZPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S4/c1-3-4-11-32(27)22-19(23)18-16(12-17(26-21(18)31-22)20-24-9-10-30-20)15-7-5-14(6-8-15)13-25-33(2,28)29/h5-10,12,25H,3-4,11,13,23H2,1-2H3.
What are the key properties of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 520.73 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 122635080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).