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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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).