N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide

C13H12BrNOS2 — CID 143283401

IUPACN-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NSc2ccc(Br)s2)c(C)c1
InChIInChI=1S/C13H12BrNOS2/c1-8-3-4-10(9(2)7-8)13(16)15-18-12-6-5-11(14)17-12/h3-7H,1-2H3,(H,15,16)
InChIKeySAVSUCNHEVMFQS-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.56
Rot. Bonds3

About N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide

N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide (PubChem CID 143283401) has the molecular formula C13H12BrNOS2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide
PubChem CID143283401
Molecular FormulaC13H12BrNOS2
Molecular Weight342.28 g/mol
Exact Mass340.95
IUPAC NameN-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NSc2ccc(Br)s2)c(C)c1
InChIInChI=1S/C13H12BrNOS2/c1-8-3-4-10(9(2)7-8)13(16)15-18-12-6-5-11(14)17-12/h3-7H,1-2H3,(H,15,16)
InChIKeySAVSUCNHEVMFQS-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromothiophen-2-yl)sulfanyl-1-(2-chloro-4-methylphenyl)ethenamine
CID 143283402
N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline
CID 162732190
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 9276694
2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide
CID 5131635
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
4-bromo-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34280698
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide?
The IUPAC name of N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide (CID 143283401) is N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide is Cc1ccc(C(=O)NSc2ccc(Br)s2)c(C)c1.
What is the InChIKey of N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide?
The InChIKey is SAVSUCNHEVMFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS2/c1-8-3-4-10(9(2)7-8)13(16)15-18-12-6-5-11(14)17-12/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide?
N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide has a molecular weight of 342.28 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)sulfanyl-2,4-dimethylbenzamide is sourced from PubChem (CID 143283401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).