N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide

C16H15BrN2OS — CID 107798725

IUPACN-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(Br)ccc1C(N)=S
InChIInChI=1S/C16H15BrN2OS/c1-10-4-2-3-5-11(10)8-15(20)19-14-9-12(17)6-7-13(14)16(18)21/h2-7,9H,8H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAGUFROIIFNJSCY-UHFFFAOYSA-N
MW363.28 g/mol
LogP3.57
Rot. Bonds4

About N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide

N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide (PubChem CID 107798725) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide
PubChem CID107798725
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC NameN-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(Br)ccc1C(N)=S
InChIInChI=1S/C16H15BrN2OS/c1-10-4-2-3-5-11(10)8-15(20)19-14-9-12(17)6-7-13(14)16(18)21/h2-7,9H,8H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAGUFROIIFNJSCY-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-carbamothioylphenyl)-2-(4-methylphenyl)acetamide
CID 107798636
N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 107798845
N-(5-bromo-2-carbamothioylphenyl)-2-chloro-3-methylbenzamide
CID 107798763
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
1-(5-bromo-2-carbamothioylphenyl)-3-(2-fluorophenyl)urea
CID 107798891
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-(5-bromo-2-carbamothioylphenyl)-3-methylbenzamide
CID 107798708
N-(5-bromo-2-carbamothioylphenyl)-2-fluorobenzamide
CID 107798721
N-(5-bromo-2-carbamothioylphenyl)-2-methylsulfanylbenzamide
CID 107798777
4-bromo-2-(2-bromo-3-methylanilino)benzenecarbothioamide
CID 114903416
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
N-(5-bromo-2-carbamothioylphenyl)-2-methoxy-2-methylpropanamide
CID 107798759

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide (CID 107798725) is N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1cc(Br)ccc1C(N)=S.
What is the InChIKey of N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide?
The InChIKey is AGUFROIIFNJSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-10-4-2-3-5-11(10)8-15(20)19-14-9-12(17)6-7-13(14)16(18)21/h2-7,9H,8H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide?
N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide has a molecular weight of 363.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 107798725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).