N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

C28H23BrN2O2S — CID 21168358

IUPACN-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(SC(C(=O)Nc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H23BrN2O2S/c29-22-11-13-24(14-12-22)31-28(33)27(21-9-5-2-6-10-21)34-25-17-15-23(16-18-25)30-26(32)19-20-7-3-1-4-8-20/h1-18,27H,19H2,(H,30,32)(H,31,33)
InChIKeyCVYAHKCHMXMJHA-UHFFFAOYSA-N
MW531.48 g/mol
LogP7.10
Rot. Bonds8

About N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (PubChem CID 21168358) has the molecular formula C28H23BrN2O2S and a molecular weight of 531.48 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
PubChem CID21168358
Molecular FormulaC28H23BrN2O2S
Molecular Weight531.48 g/mol
Exact Mass530.07
IUPAC NameN-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(SC(C(=O)Nc2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H23BrN2O2S/c29-22-11-13-24(14-12-22)31-28(33)27(21-9-5-2-6-10-21)34-25-17-15-23(16-18-25)30-26(32)19-20-7-3-1-4-8-20/h1-18,27H,19H2,(H,30,32)(H,31,33)
InChIKeyCVYAHKCHMXMJHA-UHFFFAOYSA-N
XLogP7.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.48
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide 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

2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 21169890
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134062896
(E)-4-[4-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786175
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 23097229
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 23098794
(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-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
2-(3-aminophenyl)sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 18894384

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (CID 21168358) is N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is O=C(Cc1ccccc1)Nc1ccc(SC(C(=O)Nc2ccc(Br)cc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
The InChIKey is CVYAHKCHMXMJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN2O2S/c29-22-11-13-24(14-12-22)31-28(33)27(21-9-5-2-6-10-21)34-25-17-15-23(16-18-25)30-26(32)19-20-7-3-1-4-8-20/h1-18,27H,19H2,(H,30,32)(H,31,33).
What are the key properties of N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide has a molecular weight of 531.48 g/mol, XLogP of 7.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 21168358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).