N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide

C19H19N3O4S3 — CID 91555435

IUPACN-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CSC2=NCCS2)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O4S3/c1-14(23)21-15-7-9-17(10-8-15)29(25,26)22(16-5-3-2-4-6-16)18(24)13-28-19-20-11-12-27-19/h2-10H,11-13H2,1H3,(H,21,23)
InChIKeyNKFCNZUSGQPSOF-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.20
Rot. Bonds6

About N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide

N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide (PubChem CID 91555435) has the molecular formula C19H19N3O4S3 and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide
PubChem CID91555435
Molecular FormulaC19H19N3O4S3
Molecular Weight449.58 g/mol
Exact Mass449.05
IUPAC NameN-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CSC2=NCCS2)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O4S3/c1-14(23)21-15-7-9-17(10-8-15)29(25,26)22(16-5-3-2-4-6-16)18(24)13-28-19-20-11-12-27-19/h2-10H,11-13H2,1H3,(H,21,23)
InChIKeyNKFCNZUSGQPSOF-UHFFFAOYSA-N
XLogP3.20
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide?
The IUPAC name of N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide (CID 91555435) is N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CSC2=NCCS2)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide?
The InChIKey is NKFCNZUSGQPSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S3/c1-14(23)21-15-7-9-17(10-8-15)29(25,26)22(16-5-3-2-4-6-16)18(24)13-28-19-20-11-12-27-19/h2-10H,11-13H2,1H3,(H,21,23).
What are the key properties of N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide?
N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide has a molecular weight of 449.58 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)sulfonyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-phenylacetamide is sourced from PubChem (CID 91555435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).