2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

C15H14BrClN2OS — CID 43305842

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESNc1cc(Br)ccc1SCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14BrClN2OS/c16-11-5-6-14(13(18)7-11)21-9-15(20)19-8-10-3-1-2-4-12(10)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyIGNSJSYYERGXMK-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.09
Rot. Bonds5

About 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 43305842) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID43305842
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESNc1cc(Br)ccc1SCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14BrClN2OS/c16-11-5-6-14(13(18)7-11)21-9-15(20)19-8-10-3-1-2-4-12(10)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyIGNSJSYYERGXMK-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
CID 28973867
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 43302482
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9165300
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (CID 43305842) is 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide is Nc1cc(Br)ccc1SCC(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is IGNSJSYYERGXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2OS/c16-11-5-6-14(13(18)7-11)21-9-15(20)19-8-10-3-1-2-4-12(10)17/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 385.71 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 43305842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).