2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide

C26H28N2O3S — CID 22782289

IUPAC2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C26H28N2O3S/c1-18(2)20-9-11-22(12-10-20)28-26(30)19(3)32-24-15-13-21(14-16-24)27-25(29)17-31-23-7-5-4-6-8-23/h4-16,18-19H,17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyIANVJICLSGDMSI-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.95
Rot. Bonds9

About 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide

2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 22782289) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
PubChem CID22782289
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C26H28N2O3S/c1-18(2)20-9-11-22(12-10-20)28-26(30)19(3)32-24-15-13-21(14-16-24)27-25(29)17-31-23-7-5-4-6-8-23/h4-16,18-19H,17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyIANVJICLSGDMSI-UHFFFAOYSA-N
XLogP5.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 23101069
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 23100140
N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 21167732
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905544
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
4-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-4-oxobutanoic acid
CID 22786241

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide (CID 22782289) is 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide is CC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IANVJICLSGDMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-18(2)20-9-11-22(12-10-20)28-26(30)19(3)32-24-15-13-21(14-16-24)27-25(29)17-31-23-7-5-4-6-8-23/h4-16,18-19H,17H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide?
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 448.59 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 22782289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).