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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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).