2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide

C16H25BrN2O3S2 — CID 43002628

IUPAC2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide
SMILESCCCCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O3S2/c1-3-4-5-11-18-16(20)15(10-12-23-2)19-24(21,22)14-8-6-13(17)7-9-14/h6-9,15,19H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyQOZZDYVCSNHZKE-UHFFFAOYSA-N
MW437.43 g/mol
LogP3.16
Rot. Bonds11

About 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide

2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide (PubChem CID 43002628) has the molecular formula C16H25BrN2O3S2 and a molecular weight of 437.43 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide
PubChem CID43002628
Molecular FormulaC16H25BrN2O3S2
Molecular Weight437.43 g/mol
Exact Mass436.05
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide
SMILESCCCCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O3S2/c1-3-4-5-11-18-16(20)15(10-12-23-2)19-24(21,22)14-8-6-13(17)7-9-14/h6-9,15,19H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyQOZZDYVCSNHZKE-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 19032889
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(1-methylpyrazol-3-yl)-4-methylsulfanylbutanamide
CID 31849756
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]-4-methylsulfanylbutanamide
CID 43060845
2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 1242610
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-[4-(4-chloroanilino)-4-oxobutyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55863608
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide (CID 43002628) is 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide is CCCCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide?
The InChIKey is QOZZDYVCSNHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O3S2/c1-3-4-5-11-18-16(20)15(10-12-23-2)19-24(21,22)14-8-6-13(17)7-9-14/h6-9,15,19H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide?
2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide has a molecular weight of 437.43 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide is sourced from PubChem (CID 43002628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).