N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide

C20H24BrN3O4S — CID 33033362

IUPACN-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-14(2)13-20(26)24-17-7-5-16(6-8-17)23-19(25)11-12-22-29(27,28)18-9-3-15(21)4-10-18/h3-10,14,22H,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQFMARZQIEOUHJO-UHFFFAOYSA-N
MW482.40 g/mol
LogP3.74
Rot. Bonds9

About N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide

N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide (PubChem CID 33033362) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
PubChem CID33033362
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC NameN-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-14(2)13-20(26)24-17-7-5-16(6-8-17)23-19(25)11-12-22-29(27,28)18-9-3-15(21)4-10-18/h3-10,14,22H,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQFMARZQIEOUHJO-UHFFFAOYSA-N
XLogP3.74
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide (CID 33033362) is N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide?
The InChIKey is QFMARZQIEOUHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c1-14(2)13-20(26)24-17-7-5-16(6-8-17)23-19(25)11-12-22-29(27,28)18-9-3-15(21)4-10-18/h3-10,14,22H,11-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide?
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide has a molecular weight of 482.40 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 33033362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).