N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide

C12H15BrClNOS — CID 78780727

IUPACN-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNOS/c1-12(2,3)17-7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeySXCIDUGNLSWYEO-UHFFFAOYSA-N
MW336.68 g/mol
LogP4.57
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide

N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide (PubChem CID 78780727) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
PubChem CID78780727
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNOS/c1-12(2,3)17-7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeySXCIDUGNLSWYEO-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
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N-(4-bromo-2-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
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N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
2-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
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N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
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N-(4-bromo-2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
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N-(4-bromo-2-chlorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide (CID 78780727) is N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide is CC(C)(C)SCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide?
The InChIKey is SXCIDUGNLSWYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNOS/c1-12(2,3)17-7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide?
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide has a molecular weight of 336.68 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 78780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).