2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide

C14H10BrCl2NOS — CID 2227981

IUPAC2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10BrCl2NOS/c15-9-1-3-13(4-2-9)20-8-14(19)18-12-6-10(16)5-11(17)7-12/h1-7H,8H2,(H,18,19)
InChIKeyQQQRHBFCVIIKJW-UHFFFAOYSA-N
MW391.12 g/mol
LogP5.49
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide (PubChem CID 2227981) has the molecular formula C14H10BrCl2NOS and a molecular weight of 391.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
PubChem CID2227981
Molecular FormulaC14H10BrCl2NOS
Molecular Weight391.12 g/mol
Exact Mass388.90
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10BrCl2NOS/c15-9-1-3-13(4-2-9)20-8-14(19)18-12-6-10(16)5-11(17)7-12/h1-7H,8H2,(H,18,19)
InChIKeyQQQRHBFCVIIKJW-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.12
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
(E)-4-[4-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786118
2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
CID 16527847
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
CID 55951705
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
6-[[4-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 22785698
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide (CID 2227981) is 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is QQQRHBFCVIIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NOS/c15-9-1-3-13(4-2-9)20-8-14(19)18-12-6-10(16)5-11(17)7-12/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 391.12 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 2227981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).