N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide

C15H22BrNOS — CID 156684507

IUPACN-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)(C)CSc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNOS/c1-11(2)14(18)17-9-15(3,4)10-19-13-7-5-12(16)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,17,18)
InChIKeyYCHBGUREVTWRDV-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.34
Rot. Bonds6

About N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide

N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide (PubChem CID 156684507) has the molecular formula C15H22BrNOS and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide
PubChem CID156684507
Molecular FormulaC15H22BrNOS
Molecular Weight344.32 g/mol
Exact Mass343.06
IUPAC NameN-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)(C)CSc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNOS/c1-11(2)14(18)17-9-15(3,4)10-19-13-7-5-12(16)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,17,18)
InChIKeyYCHBGUREVTWRDV-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)sulfanylethyl]-2-(carbamoylamino)propanamide
CID 18159777
(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
CID 119322850
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119609120
ethane;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 145182364
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
CID 119328873
2-amino-N-[2-(4-bromophenyl)-2-methylpropyl]-2-phenylacetamide
CID 119295146
3-(4-bromophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 18369006
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
methyl 2-bromo-3-(4-bromophenyl)sulfanylpropanoate
CID 81091387
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2669494
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide?
The IUPAC name of N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide (CID 156684507) is N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide is CC(C)C(=O)NCC(C)(C)CSc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide?
The InChIKey is YCHBGUREVTWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNOS/c1-11(2)14(18)17-9-15(3,4)10-19-13-7-5-12(16)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide?
N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide has a molecular weight of 344.32 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)sulfanyl-2,2-dimethylpropyl]-2-methylpropanamide is sourced from PubChem (CID 156684507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).