2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

C15H23BrN2O4S — CID 21372641

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O4S/c1-12(2)22-10-4-9-17-15(19)11-18(23(3,20)21)14-7-5-13(16)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyFYGZBKMFBCRDMZ-UHFFFAOYSA-N
MW407.33 g/mol
LogP2.15
Rot. Bonds9

About 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 21372641) has the molecular formula C15H23BrN2O4S and a molecular weight of 407.33 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID21372641
Molecular FormulaC15H23BrN2O4S
Molecular Weight407.33 g/mol
Exact Mass406.06
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O4S/c1-12(2)22-10-4-9-17-15(19)11-18(23(3,20)21)14-7-5-13(16)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyFYGZBKMFBCRDMZ-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 52.15
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-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 30269663
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126326800
2-(4-bromo-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2281472
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
CID 30169579
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126271049
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126371916
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219983
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 100750759
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 21372641) is 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is FYGZBKMFBCRDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O4S/c1-12(2)22-10-4-9-17-15(19)11-18(23(3,20)21)14-7-5-13(16)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 407.33 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 21372641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).