N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide

C21H18BrNOS — CID 39075033

IUPACN-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18BrNOS/c22-18-11-13-20(14-12-18)25-16-21(24)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyYKSZWGLLSGWCGP-UHFFFAOYSA-N
MW412.35 g/mol
LogP5.77
Rot. Bonds6

About N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide

N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide (PubChem CID 39075033) has the molecular formula C21H18BrNOS and a molecular weight of 412.35 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide
PubChem CID39075033
Molecular FormulaC21H18BrNOS
Molecular Weight412.35 g/mol
Exact Mass411.03
IUPAC NameN-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18BrNOS/c22-18-11-13-20(14-12-18)25-16-21(24)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyYKSZWGLLSGWCGP-UHFFFAOYSA-N
XLogP5.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.35
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide
CID 858973
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
2-(4-bromophenyl)sulfanyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 26570911
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
2-[1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 112707407
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
CID 42970232
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 134028397
N-benzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3169632

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide (CID 39075033) is N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide is O=C(CSc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide?
The InChIKey is YKSZWGLLSGWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNOS/c22-18-11-13-20(14-12-18)25-16-21(24)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14H,15-16H2.
What are the key properties of N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide?
N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide has a molecular weight of 412.35 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 39075033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).