N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide

C20H19N3O4S3 — CID 23095595

IUPACN-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H19N3O4S3/c1-14(24)21-15-4-6-16(7-5-15)22-19(25)13-29-18-10-8-17(9-11-18)23-30(26,27)20-3-2-12-28-20/h2-12,23H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyJEMDHVQWNDDASG-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.24
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (PubChem CID 23095595) has the molecular formula C20H19N3O4S3 and a molecular weight of 461.59 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
PubChem CID23095595
Molecular FormulaC20H19N3O4S3
Molecular Weight461.59 g/mol
Exact Mass461.05
IUPAC NameN-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H19N3O4S3/c1-14(24)21-15-4-6-16(7-5-15)22-19(25)13-29-18-10-8-17(9-11-18)23-30(26,27)20-3-2-12-28-20/h2-12,23H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyJEMDHVQWNDDASG-UHFFFAOYSA-N
XLogP4.24
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 22779734
N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23096482
N-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23098780
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23101438
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 51153283
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (CID 23095595) is N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The InChIKey is JEMDHVQWNDDASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S3/c1-14(24)21-15-4-6-16(7-5-15)22-19(25)13-29-18-10-8-17(9-11-18)23-30(26,27)20-3-2-12-28-20/h2-12,23H,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide has a molecular weight of 461.59 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 23095595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).