N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide

C16H15N3O3S3 — CID 2814520

IUPACN-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1
InChIInChI=1S/C16H15N3O3S3/c1-10(20)17-12-3-5-13(6-4-12)19-25(21,22)16-8-7-15(24-16)14-9-23-11(2)18-14/h3-9,19H,1-2H3,(H,17,20)
InChIKeyPQYSUDABVMSHIA-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.94
Rot. Bonds5

About N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide

N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide (PubChem CID 2814520) has the molecular formula C16H15N3O3S3 and a molecular weight of 393.52 g/mol. Its IUPAC name is N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
PubChem CID2814520
Molecular FormulaC16H15N3O3S3
Molecular Weight393.52 g/mol
Exact Mass393.03
IUPAC NameN-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1
InChIInChI=1S/C16H15N3O3S3/c1-10(20)17-12-3-5-13(6-4-12)19-25(21,22)16-8-7-15(24-16)14-9-23-11(2)18-14/h3-9,19H,1-2H3,(H,17,20)
InChIKeyPQYSUDABVMSHIA-UHFFFAOYSA-N
XLogP3.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide (CID 2814520) is N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1.
What is the InChIKey of N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The InChIKey is PQYSUDABVMSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S3/c1-10(20)17-12-3-5-13(6-4-12)19-25(21,22)16-8-7-15(24-16)14-9-23-11(2)18-14/h3-9,19H,1-2H3,(H,17,20).
What are the key properties of N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide has a molecular weight of 393.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 2814520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).