N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide

C23H21BrN2O2S — CID 18905829

IUPACN-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(NC(=O)Cc2ccccc2)c1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C23H21BrN2O2S/c1-16(23(28)26-21-13-6-5-12-20(21)24)29-19-11-7-10-18(15-19)25-22(27)14-17-8-3-2-4-9-17/h2-13,15-16H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyAEGJNLFUAOBMRJ-UHFFFAOYSA-N
MW469.40 g/mol
LogP5.75
Rot. Bonds7

About N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide

N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide (PubChem CID 18905829) has the molecular formula C23H21BrN2O2S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
PubChem CID18905829
Molecular FormulaC23H21BrN2O2S
Molecular Weight469.40 g/mol
Exact Mass468.05
IUPAC NameN-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(NC(=O)Cc2ccccc2)c1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C23H21BrN2O2S/c1-16(23(28)26-21-13-6-5-12-20(21)24)29-19-11-7-10-18(15-19)25-22(27)14-17-8-3-2-4-9-17/h2-13,15-16H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyAEGJNLFUAOBMRJ-UHFFFAOYSA-N
XLogP5.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.40
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905851
N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905866
N-(2,4-dimethoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905862
N-(4-nitrophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905849
N-(2-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906014
4-[3-[2-(2-bromoanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897201
N-naphthalen-1-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906005
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 18902390
N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
CID 18902430
2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18905971
N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905544
N-[(Z)-3-[3-[1-(2-bromoanilino)-1-oxopropan-2-yl]sulfanylanilino]-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19310494

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide (CID 18905829) is N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide is CC(Sc1cccc(NC(=O)Cc2ccccc2)c1)C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
The InChIKey is AEGJNLFUAOBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2S/c1-16(23(28)26-21-13-6-5-12-20(21)24)29-19-11-7-10-18(15-19)25-22(27)14-17-8-3-2-4-9-17/h2-13,15-16H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide?
N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide has a molecular weight of 469.40 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 18905829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).