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

C15H13BrClNOS — CID 1265415

IUPAC2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H13BrClNOS/c16-12-7-5-11(6-8-12)9-20-10-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyPVOPNVBDAAOMRT-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.97
Rot. Bonds5

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

2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide (PubChem CID 1265415) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
PubChem CID1265415
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H13BrClNOS/c16-12-7-5-11(6-8-12)9-20-10-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyPVOPNVBDAAOMRT-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

2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 30666834
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
N-(4-bromo-2-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309874
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309878
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide (CID 1265415) is 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide is O=C(CSCc1ccc(Br)cc1)Nc1ccccc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is PVOPNVBDAAOMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c16-12-7-5-11(6-8-12)9-20-10-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)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 2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 1265415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).