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

C30H24N2O4S3 — CID 21170659

IUPACN-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C30H24N2O4S3/c33-30(31-23-13-17-26(18-14-23)36-25-10-5-2-6-11-25)29(22-8-3-1-4-9-22)38-27-19-15-24(16-20-27)32-39(34,35)28-12-7-21-37-28/h1-21,29,32H,(H,31,33)
InChIKeyYGMVLYINEJCWRQ-UHFFFAOYSA-N
MW572.73 g/mol
LogP7.81
Rot. Bonds10

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

N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (PubChem CID 21170659) has the molecular formula C30H24N2O4S3 and a molecular weight of 572.73 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
PubChem CID21170659
Molecular FormulaC30H24N2O4S3
Molecular Weight572.73 g/mol
Exact Mass572.09
IUPAC NameN-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C30H24N2O4S3/c33-30(31-23-13-17-26(18-14-23)36-25-10-5-2-6-11-25)29(22-8-3-1-4-9-22)38-27-19-15-24(16-20-27)32-39(34,35)28-12-7-21-37-28/h1-21,29,32H,(H,31,33)
InChIKeyYGMVLYINEJCWRQ-UHFFFAOYSA-N
XLogP7.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.73
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-butoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21169729
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
N-(2-ethyl-6-methylphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21167652
N-(4-bromo-2-fluorophenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21170807
N-(5-chloro-2-methylphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21168191
N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21169676
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21171263
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
2,3,4,5-tetrachloro-6-[[4-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785593
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (CID 21170659) is N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The InChIKey is YGMVLYINEJCWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4S3/c33-30(31-23-13-17-26(18-14-23)36-25-10-5-2-6-11-25)29(22-8-3-1-4-9-22)38-27-19-15-24(16-20-27)32-39(34,35)28-12-7-21-37-28/h1-21,29,32H,(H,31,33).
What are the key properties of N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide has a molecular weight of 572.73 g/mol, XLogP of 7.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 21170659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).