N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide

C17H17N3O4S3 — CID 71297183

IUPACN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
InChIKeyKWWYOIOTRAVAHK-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.70
Rot. Bonds7

About N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide

N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide (PubChem CID 71297183) has the molecular formula C17H17N3O4S3 and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide
PubChem CID71297183
Molecular FormulaC17H17N3O4S3
Molecular Weight423.54 g/mol
Exact Mass423.04
IUPAC NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
InChIKeyKWWYOIOTRAVAHK-UHFFFAOYSA-N
XLogP3.70
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Cyclohexyl-N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}propanamide
CID 71661885
N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
CID 2811612
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
N-(3-(2-oxo-2,3-dihydrothiazol-4-yl)-5-(thiophene-2-sulfonaMido)phenyl)thiophene-2-carboxaMide
CID 71661712
N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide
CID 71661886
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
N-[3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)phenyl]thiophene-2-Sulfonamide
CID 71297184
N~1~-(3-ethylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 4318849
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4615679

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
The IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide (CID 71297183) is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide.
What is the SMILES notation for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
The canonical SMILES for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide is CCCC(=O)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1.
What is the InChIKey of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
The InChIKey is KWWYOIOTRAVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide has a molecular weight of 423.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]butanamide is sourced from PubChem (CID 71297183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).