N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

C23H24N2O4S2 — CID 23094970

IUPACN-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-3-29-20-10-6-18(7-11-20)24-23(26)16-30-21-12-8-19(9-13-21)25-31(27,28)22-14-4-17(2)5-15-22/h4-15,25H,3,16H2,1-2H3,(H,24,26)
InChIKeyIVYQMCVSHVVZED-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.93
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 23094970) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID23094970
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-3-29-20-10-6-18(7-11-20)24-23(26)16-30-21-12-8-19(9-13-21)25-31(27,28)22-14-4-17(2)5-15-22/h4-15,25H,3,16H2,1-2H3,(H,24,26)
InChIKeyIVYQMCVSHVVZED-UHFFFAOYSA-N
XLogP4.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 23094970) is N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is IVYQMCVSHVVZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-3-29-20-10-6-18(7-11-20)24-23(26)16-30-21-12-8-19(9-13-21)25-31(27,28)22-14-4-17(2)5-15-22/h4-15,25H,3,16H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 456.59 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 23094970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).