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

C15H13N3O3S3 — CID 5058907

IUPACN-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H13N3O3S3/c1-10(19)16-11-4-6-12(7-5-11)24(20,21)18-15-17-13(9-23-15)14-3-2-8-22-14/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyJARQFTXYAHMYNI-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.63
Rot. Bonds5

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

N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 5058907) has the molecular formula C15H13N3O3S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID5058907
Molecular FormulaC15H13N3O3S3
Molecular Weight379.49 g/mol
Exact Mass379.01
IUPAC NameN-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H13N3O3S3/c1-10(19)16-11-4-6-12(7-5-11)24(20,21)18-15-17-13(9-23-15)14-3-2-8-22-14/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyJARQFTXYAHMYNI-UHFFFAOYSA-N
XLogP3.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.63
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-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3128431
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
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
4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 55376558
N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 67173926
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783079
4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 4965787
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 5058907) is N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is JARQFTXYAHMYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S3/c1-10(19)16-11-4-6-12(7-5-11)24(20,21)18-15-17-13(9-23-15)14-3-2-8-22-14/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 5058907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).