N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide

C15H13BrClNOS — CID 1278117

IUPACN-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNOS/c16-13-3-1-2-4-14(13)18-15(19)10-20-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyAOZLVTBXEFAEQU-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.97
Rot. Bonds5

About N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide

N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 1278117) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
PubChem CID1278117
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC NameN-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNOS/c16-13-3-1-2-4-14(13)18-15(19)10-20-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyAOZLVTBXEFAEQU-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
CID 115569352
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
CID 43357960
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24710815

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide (CID 1278117) is N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is AOZLVTBXEFAEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c16-13-3-1-2-4-14(13)18-15(19)10-20-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 370.70 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 1278117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).