N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide

C18H14BrNOS — CID 4237422

IUPACN-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1cccc(Br)c1
InChIInChI=1S/C18H14BrNOS/c19-14-7-4-8-15(11-14)20-18(21)12-22-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)
InChIKeyJADLGRGVFKYYCX-UHFFFAOYSA-N
MW372.29 g/mol
LogP5.33
Rot. Bonds4

About N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide

N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 4237422) has the molecular formula C18H14BrNOS and a molecular weight of 372.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID4237422
Molecular FormulaC18H14BrNOS
Molecular Weight372.29 g/mol
Exact Mass371.00
IUPAC NameN-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1cccc(Br)c1
InChIInChI=1S/C18H14BrNOS/c19-14-7-4-8-15(11-14)20-18(21)12-22-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)
InChIKeyJADLGRGVFKYYCX-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 126178248
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
CID 43306161
2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 52736699
N-(3-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3745372
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 17497756
N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 126189699

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide (CID 4237422) is N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide is O=C(CSc1cccc2ccccc12)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is JADLGRGVFKYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNOS/c19-14-7-4-8-15(11-14)20-18(21)12-22-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide?
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 372.29 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 4237422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).