4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide

C12H16BrNOS — CID 115662215

IUPAC4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
SMILESCCSCC(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOS/c1-3-16-8-9(2)14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyMPYMVNMHAGNWBC-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.32
Rot. Bonds5

About 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide

4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide (PubChem CID 115662215) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
PubChem CID115662215
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
SMILESCCSCC(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOS/c1-3-16-8-9(2)14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyMPYMVNMHAGNWBC-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 103883078
4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636139
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
4-bromo-N-(1-ethylsulfanylpropan-2-yl)-2,6-difluorobenzamide
CID 115686786
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
methyl (3R)-3-[(4-bromobenzoyl)amino]butanoate
CID 25139378
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide (CID 115662215) is 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide is CCSCC(C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
The InChIKey is MPYMVNMHAGNWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-3-16-8-9(2)14-12(15)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide has a molecular weight of 302.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 115662215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).