N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide

C25H27N3O2S — CID 42068550

IUPACN,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C25H27N3O2S/c1-3-28(4-2)25(30)19-14-16-20(17-15-19)27-24(29)18-26-22-12-8-9-13-23(22)31-21-10-6-5-7-11-21/h5-17,26H,3-4,18H2,1-2H3,(H,27,29)
InChIKeySVCNDHJZACTZEG-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.37
Rot. Bonds9

About N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide (PubChem CID 42068550) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
PubChem CID42068550
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C25H27N3O2S/c1-3-28(4-2)25(30)19-14-16-20(17-15-19)27-24(29)18-26-22-12-8-9-13-23(22)31-21-10-6-5-7-11-21/h5-17,26H,3-4,18H2,1-2H3,(H,27,29)
InChIKeySVCNDHJZACTZEG-UHFFFAOYSA-N
XLogP5.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54826939
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 18278497
4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide (CID 42068550) is N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide?
The InChIKey is SVCNDHJZACTZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-3-28(4-2)25(30)19-14-16-20(17-15-19)27-24(29)18-26-22-12-8-9-13-23(22)31-21-10-6-5-7-11-21/h5-17,26H,3-4,18H2,1-2H3,(H,27,29).
What are the key properties of N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide has a molecular weight of 433.58 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 42068550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).