3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide

C17H25BrN2O3S — CID 55585732

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)NCCCC1CCCC1
InChIInChI=1S/C17H25BrN2O3S/c18-15-8-3-9-16(13-15)24(22,23)20-12-10-17(21)19-11-4-7-14-5-1-2-6-14/h3,8-9,13-14,20H,1-2,4-7,10-12H2,(H,19,21)
InChIKeyXVRYPSZQSQJMQZ-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.20
Rot. Bonds9

About 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide (PubChem CID 55585732) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
PubChem CID55585732
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)NCCCC1CCCC1
InChIInChI=1S/C17H25BrN2O3S/c18-15-8-3-9-16(13-15)24(22,23)20-12-10-17(21)19-11-4-7-14-5-1-2-6-14/h3,8-9,13-14,20H,1-2,4-7,10-12H2,(H,19,21)
InChIKeyXVRYPSZQSQJMQZ-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46433666
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408273
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573891
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide (CID 55585732) is 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide is O=C(CCNS(=O)(=O)c1cccc(Br)c1)NCCCC1CCCC1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide?
The InChIKey is XVRYPSZQSQJMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c18-15-8-3-9-16(13-15)24(22,23)20-12-10-17(21)19-11-4-7-14-5-1-2-6-14/h3,8-9,13-14,20H,1-2,4-7,10-12H2,(H,19,21).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide has a molecular weight of 417.37 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide is sourced from PubChem (CID 55585732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).