N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide

C25H26N2O2S — CID 42905382

IUPACN,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-3-27(4-2)25(29)20-15-17-21(18-16-20)26-24(28)23(19-11-7-5-8-12-19)30-22-13-9-6-10-14-22/h5-18,23H,3-4H2,1-2H3,(H,26,28)
InChIKeySQMUWFCSWYCOQA-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.64
Rot. Bonds8

About N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide

N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide (PubChem CID 42905382) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
PubChem CID42905382
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-3-27(4-2)25(29)20-15-17-21(18-16-20)26-24(28)23(19-11-7-5-8-12-19)30-22-13-9-6-10-14-22/h5-18,23H,3-4H2,1-2H3,(H,26,28)
InChIKeySQMUWFCSWYCOQA-UHFFFAOYSA-N
XLogP5.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide
CID 52810662
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134062896
4-methyl-N-[4-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23096211
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
4-cyano-N,N-diethyl-3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-2-carboxamide
CID 4675086
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The IUPAC name of N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide (CID 42905382) is N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The InChIKey is SQMUWFCSWYCOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-3-27(4-2)25(29)20-15-17-21(18-16-20)26-24(28)23(19-11-7-5-8-12-19)30-22-13-9-6-10-14-22/h5-18,23H,3-4H2,1-2H3,(H,26,28).
What are the key properties of N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide has a molecular weight of 418.56 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 42905382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).