N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride

C15H24BrClN2O3S — CID 119792992

IUPACN-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-15(2,11-18-14(19)5-4-10-17-3)22(20,21)13-8-6-12(16)7-9-13;/h6-9,17H,4-5,10-11H2,1-3H3,(H,18,19);1H
InChIKeyYNBFEQPLHRLZRD-UHFFFAOYSA-N
MW427.79 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride

N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119792992) has the molecular formula C15H24BrClN2O3S and a molecular weight of 427.79 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119792992
Molecular FormulaC15H24BrClN2O3S
Molecular Weight427.79 g/mol
Exact Mass426.04
IUPAC NameN-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-15(2,11-18-14(19)5-4-10-17-3)22(20,21)13-8-6-12(16)7-9-13;/h6-9,17H,4-5,10-11H2,1-3H3,(H,18,19);1H
InChIKeyYNBFEQPLHRLZRD-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 52.54
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

1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792990
4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide
CID 119432381
(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
CID 119328873
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119822011
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride (CID 119792992) is N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is YNBFEQPLHRLZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S.ClH/c1-15(2,11-18-14(19)5-4-10-17-3)22(20,21)13-8-6-12(16)7-9-13;/h6-9,17H,4-5,10-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 427.79 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119792992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).