5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide

C15H23BrN2OS — CID 62805542

IUPAC5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCSc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C15H23BrN2OS/c1-3-9-18-15(2,14(17)19)8-5-10-20-13-7-4-6-12(16)11-13/h4,6-7,11,18H,3,5,8-10H2,1-2H3,(H2,17,19)
InChIKeyZNDGLYVYUDCINS-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.57
Rot. Bonds9

About 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide

5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide (PubChem CID 62805542) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
PubChem CID62805542
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCSc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C15H23BrN2OS/c1-3-9-18-15(2,14(17)19)8-5-10-20-13-7-4-6-12(16)11-13/h4,6-7,11,18H,3,5,8-10H2,1-2H3,(H2,17,19)
InChIKeyZNDGLYVYUDCINS-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
CID 64807356
5-(3-bromophenyl)sulfanyl-2,2-dimethylpentanoic acid
CID 65259979
6-(3-bromophenyl)sulfanyl-2,2-dimethylhexanimidamide
CID 106712830
4-(3-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)butanoic acid
CID 62647548
5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
CID 81265267
2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
CID 62253671
5-(3-bromophenyl)sulfanylpentan-2-one
CID 62804795
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)butanoate
CID 62804447
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 63464606
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64704732
bromobenzene;1-bromo-3-butylsulfanylbenzene
CID 158800951

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide (CID 62805542) is 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CCCSc1cccc(Br)c1)C(N)=O.
What is the InChIKey of 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
The InChIKey is ZNDGLYVYUDCINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-3-9-18-15(2,14(17)19)8-5-10-20-13-7-4-6-12(16)11-13/h4,6-7,11,18H,3,5,8-10H2,1-2H3,(H2,17,19).
What are the key properties of 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide has a molecular weight of 359.33 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 62805542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).