2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide

C24H23N3O4S — CID 18905603

IUPAC2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide
SMILESCC(Sc1cccc(NC(=O)COc2ccccc2)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C24H23N3O4S/c1-16(24(30)27-21-13-6-5-12-20(21)23(25)29)32-19-11-7-8-17(14-19)26-22(28)15-31-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H2,25,29)(H,26,28)(H,27,30)
InChIKeyIFRLMLACLSHEJQ-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.92
Rot. Bonds9

About 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide

2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide (PubChem CID 18905603) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide
PubChem CID18905603
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide
SMILESCC(Sc1cccc(NC(=O)COc2ccccc2)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C24H23N3O4S/c1-16(24(30)27-21-13-6-5-12-20(21)23(25)29)32-19-11-7-8-17(14-19)26-22(28)15-31-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H2,25,29)(H,26,28)(H,27,30)
InChIKeyIFRLMLACLSHEJQ-UHFFFAOYSA-N
XLogP3.92
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905544
2-[[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895607
N-[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907907
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905608
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956454
2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956456
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905866
2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzamide
CID 18907475
N-(2,5-dimethylphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 18905774
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
The IUPAC name of 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide (CID 18905603) is 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide.
What is the SMILES notation for 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
The canonical SMILES for 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide is CC(Sc1cccc(NC(=O)COc2ccccc2)c1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
The InChIKey is IFRLMLACLSHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16(24(30)27-21-13-6-5-12-20(21)23(25)29)32-19-11-7-8-17(14-19)26-22(28)15-31-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H2,25,29)(H,26,28)(H,27,30).
What are the key properties of 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide?
2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 18905603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).