2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide

C13H19BrN2O4S — CID 2963977

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O4S/c1-10(13(17)15-8-3-9-20-2)16-21(18,19)12-6-4-11(14)5-7-12/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyBKNYJKWSCRRBNA-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.27
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 2963977) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
PubChem CID2963977
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O4S/c1-10(13(17)15-8-3-9-20-2)16-21(18,19)12-6-4-11(14)5-7-12/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyBKNYJKWSCRRBNA-UHFFFAOYSA-N
XLogP1.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.27
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

2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 106612613
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890192
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide (CID 2963977) is 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is BKNYJKWSCRRBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-10(13(17)15-8-3-9-20-2)16-21(18,19)12-6-4-11(14)5-7-12/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 379.28 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 2963977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).