2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide

C18H21BrN2O4S — CID 30169579

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21BrN2O4S/c1-25-13-5-12-20-18(22)14-21(16-10-8-15(19)9-11-16)26(23,24)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyZROJHTLJABGZNB-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.80
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide (PubChem CID 30169579) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
PubChem CID30169579
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21BrN2O4S/c1-25-13-5-12-20-18(22)14-21(16-10-8-15(19)9-11-16)26(23,24)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyZROJHTLJABGZNB-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43892388
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 2889686
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1339603
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 51343359
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 43892379
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
CID 30169183
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174135
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide (CID 30169579) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide?
The InChIKey is ZROJHTLJABGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-25-13-5-12-20-18(22)14-21(16-10-8-15(19)9-11-16)26(23,24)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide has a molecular weight of 441.35 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 30169579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).