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

C16H14N4O3S2 — CID 108783481

IUPACN-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H14N4O3S2/c1-11(21)18-12-5-7-13(8-6-12)25(22,23)20-16-19-15(10-24-16)14-4-2-3-9-17-14/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyMDVBMGKEDAEUFO-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.96
Rot. Bonds5

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

N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 108783481) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID108783481
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC NameN-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H14N4O3S2/c1-11(21)18-12-5-7-13(8-6-12)25(22,23)20-16-19-15(10-24-16)14-4-2-3-9-17-14/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyMDVBMGKEDAEUFO-UHFFFAOYSA-N
XLogP2.96
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
N-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 13219372
N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504634
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75403048
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783493
4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 160741102
N-[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 90588452
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 704429
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 108783481) is N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MDVBMGKEDAEUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-11(21)18-12-5-7-13(8-6-12)25(22,23)20-16-19-15(10-24-16)14-4-2-3-9-17-14/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 108783481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).