(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide

C20H16BrNOS — CID 2268280

IUPAC(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1cccc(Br)c1)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrNOS/c21-16-10-7-11-17(14-16)22-20(23)19(15-8-3-1-4-9-15)24-18-12-5-2-6-13-18/h1-14,19H,(H,22,23)/t19-/m1/s1
InChIKeyKLYBOTSYYBSPLG-LJQANCHMSA-N
MW398.33 g/mol
LogP5.92
Rot. Bonds5

About (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2268280) has the molecular formula C20H16BrNOS and a molecular weight of 398.33 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2268280
Molecular FormulaC20H16BrNOS
Molecular Weight398.33 g/mol
Exact Mass397.01
IUPAC Name(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1cccc(Br)c1)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16BrNOS/c21-16-10-7-11-17(14-16)22-20(23)19(15-8-3-1-4-9-15)24-18-12-5-2-6-13-18/h1-14,19H,(H,22,23)/t19-/m1/s1
InChIKeyKLYBOTSYYBSPLG-LJQANCHMSA-N
XLogP5.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.33
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 55609795
2-(3-aminophenyl)sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 18894384
N-(3,5-difluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 17271870
dimethyl 5-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzene-1,3-dicarboxylate
CID 2862583
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908350
2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
CID 18894387
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2,4-dichlorobenzamide
CID 18902302
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18905470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2268280) is (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(Nc1cccc(Br)c1)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is KLYBOTSYYBSPLG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16BrNOS/c21-16-10-7-11-17(14-16)22-20(23)19(15-8-3-1-4-9-15)24-18-12-5-2-6-13-18/h1-14,19H,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 398.33 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2268280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).