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

C13H16N4O4S3 — CID 11998432

IUPAC2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(-c2sc(NC(C)=O)nc2C)s1
InChIInChI=1S/C13H16N4O4S3/c1-7-12(23-13(16-7)17-8(2)18)9-4-5-11(22-9)24(20,21)15-6-10(19)14-3/h4-5,15H,6H2,1-3H3,(H,14,19)(H,16,17,18)
InChIKeyAWFHADNMWHPFRQ-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.16
Rot. Bonds6

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

2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide (PubChem CID 11998432) has the molecular formula C13H16N4O4S3 and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide
PubChem CID11998432
Molecular FormulaC13H16N4O4S3
Molecular Weight388.50 g/mol
Exact Mass388.03
IUPAC Name2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(-c2sc(NC(C)=O)nc2C)s1
InChIInChI=1S/C13H16N4O4S3/c1-7-12(23-13(16-7)17-8(2)18)9-4-5-11(22-9)24(20,21)15-6-10(19)14-3/h4-5,15H,6H2,1-3H3,(H,14,19)(H,16,17,18)
InChIKeyAWFHADNMWHPFRQ-UHFFFAOYSA-N
XLogP1.16
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide (CID 11998432) is 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc(-c2sc(NC(C)=O)nc2C)s1.
What is the InChIKey of 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide?
The InChIKey is AWFHADNMWHPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S3/c1-7-12(23-13(16-7)17-8(2)18)9-4-5-11(22-9)24(20,21)15-6-10(19)14-3/h4-5,15H,6H2,1-3H3,(H,14,19)(H,16,17,18).
What are the key properties of 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide?
2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide has a molecular weight of 388.50 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 11998432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).