2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

C23H20N4O3S3 — CID 23099752

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
SMILESCc1nnc(NC(=O)C(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc2)s1
InChIInChI=1S/C23H20N4O3S3/c1-16-25-26-23(31-16)24-22(28)21(17-8-4-2-5-9-17)32-19-14-12-18(13-15-19)27-33(29,30)20-10-6-3-7-11-20/h2-15,21,27H,1H3,(H,24,26,28)
InChIKeyJJNHAZWYDRHEQP-UHFFFAOYSA-N
MW496.64 g/mol
LogP5.12
Rot. Bonds8

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide (PubChem CID 23099752) has the molecular formula C23H20N4O3S3 and a molecular weight of 496.64 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
PubChem CID23099752
Molecular FormulaC23H20N4O3S3
Molecular Weight496.64 g/mol
Exact Mass496.07
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
SMILESCc1nnc(NC(=O)C(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc2)s1
InChIInChI=1S/C23H20N4O3S3/c1-16-25-26-23(31-16)24-22(28)21(17-8-4-2-5-9-17)32-19-14-12-18(13-15-19)27-33(29,30)20-10-6-3-7-11-20/h2-15,21,27H,1H3,(H,24,26,28)
InChIKeyJJNHAZWYDRHEQP-UHFFFAOYSA-N
XLogP5.12
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.64
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide with MolForge

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 23097229
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
CID 21167685
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
CID 23100906
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
3-methoxy-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23099099
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 21167349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide (CID 23099752) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide is Cc1nnc(NC(=O)C(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc2)s1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The InChIKey is JJNHAZWYDRHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S3/c1-16-25-26-23(31-16)24-22(28)21(17-8-4-2-5-9-17)32-19-14-12-18(13-15-19)27-33(29,30)20-10-6-3-7-11-20/h2-15,21,27H,1H3,(H,24,26,28).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide has a molecular weight of 496.64 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 23099752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).