2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide

C18H21BrN2O4S — CID 17256718

IUPAC2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-25-12-2-11-20-26(23,24)17-9-7-16(8-10-17)21-18(22)13-14-3-5-15(19)6-4-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyLKEVDAPZRUBODP-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.95
Rot. Bonds9

About 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide

2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide (PubChem CID 17256718) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
PubChem CID17256718
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-25-12-2-11-20-26(23,24)17-9-7-16(8-10-17)21-18(22)13-14-3-5-15(19)6-4-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyLKEVDAPZRUBODP-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.95
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

4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 3160786
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 92673900
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
CID 5031253
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
N-[4-(3-methoxypropylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112981081
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide (CID 17256718) is 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide is COCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is LKEVDAPZRUBODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-25-12-2-11-20-26(23,24)17-9-7-16(8-10-17)21-18(22)13-14-3-5-15(19)6-4-14/h3-10,20H,2,11-13H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 441.35 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17256718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).