N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide

C17H16N4O3S2 — CID 3241778

IUPACN-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4O3S2/c1-12(22)20-14-4-6-16(7-5-14)26(23,24)19-10-15-11-25-17(21-15)13-3-2-8-18-9-13/h2-9,11,19H,10H2,1H3,(H,20,22)
InChIKeyNOHIGAPIAVRHRP-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.64
Rot. Bonds6

About N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 3241778) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID3241778
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4O3S2/c1-12(22)20-14-4-6-16(7-5-14)26(23,24)19-10-15-11-25-17(21-15)13-3-2-8-18-9-13/h2-9,11,19H,10H2,1H3,(H,20,22)
InChIKeyNOHIGAPIAVRHRP-UHFFFAOYSA-N
XLogP2.64
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
4-((7-Oxo-7H-thiazolo(5,4-E)indol-8-ylmethyl)-amino)-N-pyridin-2-YL-benzenesulfonamide
CID 1712
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
3-{2-[(Pyridine-2-sulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10215918
N'1-{[2-(3-pyridyl)-1,3-thiazol-4-yl]carbonyl}benzene-1-sulfonohydrazide
CID 2824175
N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25187693
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202342
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
N-[4-[4-(2-methyl-thiazol-4-ylmethyl)-piperazine-1-sulfonyl]-phenyl]-acetamide
CID 574577
2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide (CID 3241778) is N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is NOHIGAPIAVRHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-12(22)20-14-4-6-16(7-5-14)26(23,24)19-10-15-11-25-17(21-15)13-3-2-8-18-9-13/h2-9,11,19H,10H2,1H3,(H,20,22).
What are the key properties of N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3241778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).