N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide

C23H21N3O3S — CID 52810662

IUPACN-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide
SMILESNC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O3S/c24-20(27)15-25-22(28)17-11-13-18(14-12-17)26-23(29)21(16-7-3-1-4-8-16)30-19-9-5-2-6-10-19/h1-14,21H,15H2,(H2,24,27)(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyKTIRBWWMEZHLCH-NRFANRHFSA-N
MW419.51 g/mol
LogP3.37
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide

N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide (PubChem CID 52810662) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide
PubChem CID52810662
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide
SMILESNC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O3S/c24-20(27)15-25-22(28)17-11-13-18(14-12-17)26-23(29)21(16-7-3-1-4-8-16)30-19-9-5-2-6-10-19/h1-14,21H,15H2,(H2,24,27)(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyKTIRBWWMEZHLCH-NRFANRHFSA-N
XLogP3.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
CID 42905382
4-methyl-N-[4-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23096211
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134062896
4-methyl-N-[4-[2-oxo-1-phenyl-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide
CID 22782953
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293
2-[[4-[2-(4-acetylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785363
N-[3-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904090
8-[[4-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786655
N-[4-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 21170234

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide (CID 52810662) is N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide is NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide?
The InChIKey is KTIRBWWMEZHLCH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O3S/c24-20(27)15-25-22(28)17-11-13-18(14-12-17)26-23(29)21(16-7-3-1-4-8-16)30-19-9-5-2-6-10-19/h1-14,21H,15H2,(H2,24,27)(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide?
N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide has a molecular weight of 419.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide is sourced from PubChem (CID 52810662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).