3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C16H18BrNOS — CID 81472617

IUPAC3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(C)c(Br)c2)s1
InChIInChI=1S/C16H18BrNOS/c1-10-5-7-13(9-14(10)17)16(19)18(4)12(3)15-8-6-11(2)20-15/h5-9,12H,1-4H3
InChIKeyCZFJNPKTSXVFFE-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.96
Rot. Bonds3

About 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 81472617) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID81472617
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(C)c(Br)c2)s1
InChIInChI=1S/C16H18BrNOS/c1-10-5-7-13(9-14(10)17)16(19)18(4)12(3)15-8-6-11(2)20-15/h5-9,12H,1-4H3
InChIKeyCZFJNPKTSXVFFE-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81307886
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283
3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61116791
5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317
N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95263497
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
3-bromo-N-(1-chloropropan-2-yl)-N,4-dimethylbenzamide
CID 104555602
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524839
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 81472617) is 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)N(C)C(=O)c2ccc(C)c(Br)c2)s1.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is CZFJNPKTSXVFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-10-5-7-13(9-14(10)17)16(19)18(4)12(3)15-8-6-11(2)20-15/h5-9,12H,1-4H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 352.30 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 81472617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).