2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide

C19H20BrNO3S — CID 39209795

IUPAC2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C19H20BrNO3S/c20-15-10-8-14(9-11-15)12-19(22)21-16-4-3-7-18(13-16)25(23,24)17-5-1-2-6-17/h3-4,7-11,13,17H,1-2,5-6,12H2,(H,21,22)
InChIKeyAHXLWSDLMWAPRK-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.35
Rot. Bonds5

About 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide

2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide (PubChem CID 39209795) has the molecular formula C19H20BrNO3S and a molecular weight of 422.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
PubChem CID39209795
Molecular FormulaC19H20BrNO3S
Molecular Weight422.34 g/mol
Exact Mass421.03
IUPAC Name2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C19H20BrNO3S/c20-15-10-8-14(9-11-15)12-19(22)21-16-4-3-7-18(13-16)25(23,24)17-5-1-2-6-17/h3-4,7-11,13,17H,1-2,5-6,12H2,(H,21,22)
InChIKeyAHXLWSDLMWAPRK-UHFFFAOYSA-N
XLogP4.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
CID 55612776
3-[(2-chlorophenyl)sulfonylamino]-N-(3-cyclopentylsulfonylphenyl)propanamide
CID 55636261
2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
CID 55636206
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
CID 55612715
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-(3-cyclopentylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 39209515
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide
CID 39178437
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide (CID 39209795) is 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide?
The InChIKey is AHXLWSDLMWAPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3S/c20-15-10-8-14(9-11-15)12-19(22)21-16-4-3-7-18(13-16)25(23,24)17-5-1-2-6-17/h3-4,7-11,13,17H,1-2,5-6,12H2,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide?
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide has a molecular weight of 422.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide is sourced from PubChem (CID 39209795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).