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

C17H17N3O4S3 — CID 71661709

IUPACN-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2csc(=O)[nH]2)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-13-9-11(14-10-26-17(22)19-14)6-7-12(13)20-27(23,24)16-5-3-8-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
InChIKeyHPBVUAIMXNPJTN-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.70
Rot. Bonds7

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

N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide (PubChem CID 71661709) has the molecular formula C17H17N3O4S3 and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide
PubChem CID71661709
Molecular FormulaC17H17N3O4S3
Molecular Weight423.54 g/mol
Exact Mass423.04
IUPAC NameN-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2csc(=O)[nH]2)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-13-9-11(14-10-26-17(22)19-14)6-7-12(13)20-27(23,24)16-5-3-8-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
InChIKeyHPBVUAIMXNPJTN-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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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
The IUPAC name of N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide (CID 71661709) is N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide.
What is the SMILES notation for N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
The canonical SMILES for N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide is CCCC(=O)Nc1cc(-c2csc(=O)[nH]2)ccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
The InChIKey is HPBVUAIMXNPJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-13-9-11(14-10-26-17(22)19-14)6-7-12(13)20-27(23,24)16-5-3-8-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide?
N-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(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-[5-(2-oxo-3H-1,3-thiazol-4-yl)-2-(thiophen-2-ylsulfonylamino)phenyl]butanamide is sourced from PubChem (CID 71661709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).