5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

C16H18BrNOS — CID 65311265

IUPAC5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2cc(Br)ccc2C)s1
InChIInChI=1S/C16H18BrNOS/c1-10-4-6-13(17)9-15(10)16(19)18-11(2)8-14-7-5-12(3)20-14/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyMLXUDLIRBHQARM-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.49
Rot. Bonds4

About 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (PubChem CID 65311265) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
PubChem CID65311265
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2cc(Br)ccc2C)s1
InChIInChI=1S/C16H18BrNOS/c1-10-4-6-13(17)9-15(10)16(19)18-11(2)8-14-7-5-12(3)20-14/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyMLXUDLIRBHQARM-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
CID 107030799
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (CID 65311265) is 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is Cc1ccc(CC(C)NC(=O)c2cc(Br)ccc2C)s1.
What is the InChIKey of 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The InChIKey is MLXUDLIRBHQARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-10-4-6-13(17)9-15(10)16(19)18-11(2)8-14-7-5-12(3)20-14/h4-7,9,11H,8H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide has a molecular weight of 352.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 65311265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).