N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide

C16H16BrNOS — CID 81035804

IUPACN-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H16BrNOS/c1-3-11-10-12(17)8-9-14(11)18-16(19)13-6-4-5-7-15(13)20-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyOUZUIKMCSHFOIO-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.99
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide

N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide (PubChem CID 81035804) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
PubChem CID81035804
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H16BrNOS/c1-3-11-10-12(17)8-9-14(11)18-16(19)13-6-4-5-7-15(13)20-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyOUZUIKMCSHFOIO-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
N-(5-bromo-2-carbamothioylphenyl)-2-methylsulfanylbenzamide
CID 107798777
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
CID 47267896
N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
CID 2996847

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide (CID 81035804) is N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide is CCc1cc(Br)ccc1NC(=O)c1ccccc1SC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is OUZUIKMCSHFOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-3-11-10-12(17)8-9-14(11)18-16(19)13-6-4-5-7-15(13)20-2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide?
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 350.28 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 81035804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).