N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide

C30H28N2O4S — CID 23101245

IUPACN-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1ccc(NC(=O)COc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H28N2O4S/c1-2-35-27-16-10-9-15-26(27)32-30(34)29(22-11-5-3-6-12-22)37-25-19-17-23(18-20-25)31-28(33)21-36-24-13-7-4-8-14-24/h3-20,29H,2,21H2,1H3,(H,31,33)(H,32,34)
InChIKeyZUCMPWVETUGEJR-UHFFFAOYSA-N
MW512.63 g/mol
LogP6.57
Rot. Bonds11

About N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide

N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide (PubChem CID 23101245) has the molecular formula C30H28N2O4S and a molecular weight of 512.63 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
PubChem CID23101245
Molecular FormulaC30H28N2O4S
Molecular Weight512.63 g/mol
Exact Mass512.18
IUPAC NameN-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1ccc(NC(=O)COc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H28N2O4S/c1-2-35-27-16-10-9-15-26(27)32-30(34)29(22-11-5-3-6-12-22)37-25-19-17-23(18-20-25)31-28(33)21-36-24-13-7-4-8-14-24/h3-20,29H,2,21H2,1H3,(H,31,33)(H,32,34)
InChIKeyZUCMPWVETUGEJR-UHFFFAOYSA-N
XLogP6.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23095714
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 23101069
N-(5-chloro-2-methoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 21168503
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 21167349
N-[4-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 22780109
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 21168074
N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 21168769
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16572356
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
N-[4-[2-(2,4-dimethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 23095951

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide (CID 23101245) is N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide is CCOc1ccccc1NC(=O)C(Sc1ccc(NC(=O)COc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
The InChIKey is ZUCMPWVETUGEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4S/c1-2-35-27-16-10-9-15-26(27)32-30(34)29(22-11-5-3-6-12-22)37-25-19-17-23(18-20-25)31-28(33)21-36-24-13-7-4-8-14-24/h3-20,29H,2,21H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide?
N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide has a molecular weight of 512.63 g/mol, XLogP of 6.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 23101245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).