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

C18H18N4O3S2 — CID 16832456

IUPACN-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-13(23)21-15-4-6-17(7-5-15)27(24,25)20-10-8-16-12-26-18(22-16)14-3-2-9-19-11-14/h2-7,9,11-12,20H,8,10H2,1H3,(H,21,23)
InChIKeyNHJSEGLNJNMHFR-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.68
Rot. Bonds7

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

N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 16832456) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID16832456
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-13(23)21-15-4-6-17(7-5-15)27(24,25)20-10-8-16-12-26-18(22-16)14-3-2-9-19-11-14/h2-7,9,11-12,20H,8,10H2,1H3,(H,21,23)
InChIKeyNHJSEGLNJNMHFR-UHFFFAOYSA-N
XLogP2.68
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.68
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
2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
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
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide (CID 16832456) is N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is NHJSEGLNJNMHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-13(23)21-15-4-6-17(7-5-15)27(24,25)20-10-8-16-12-26-18(22-16)14-3-2-9-19-11-14/h2-7,9,11-12,20H,8,10H2,1H3,(H,21,23).
What are the key properties of N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16832456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).