2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide

C19H20BrNO3S2 — CID 39178437

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C19H20BrNO3S2/c20-14-5-9-16(10-6-14)25-13-19(22)21-15-7-11-18(12-8-15)26(23,24)17-3-1-2-4-17/h5-12,17H,1-4,13H2,(H,21,22)
InChIKeyMKHOGMQKANZYFO-UHFFFAOYSA-N
MW454.41 g/mol
LogP4.90
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide (PubChem CID 39178437) has the molecular formula C19H20BrNO3S2 and a molecular weight of 454.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide
PubChem CID39178437
Molecular FormulaC19H20BrNO3S2
Molecular Weight454.41 g/mol
Exact Mass453.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C19H20BrNO3S2/c20-14-5-9-16(10-6-14)25-13-19(22)21-15-7-11-18(12-8-15)26(23,24)17-3-1-2-4-17/h5-12,17H,1-4,13H2,(H,21,22)
InChIKeyMKHOGMQKANZYFO-UHFFFAOYSA-N
XLogP4.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 39209515
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
CID 42957046
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide
CID 83202861
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide (CID 39178437) is 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide?
The InChIKey is MKHOGMQKANZYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3S2/c20-14-5-9-16(10-6-14)25-13-19(22)21-15-7-11-18(12-8-15)26(23,24)17-3-1-2-4-17/h5-12,17H,1-4,13H2,(H,21,22).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide has a molecular weight of 454.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide is sourced from PubChem (CID 39178437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).