N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide

C16H15BrN2OS — CID 1027690

IUPACN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2C)c(Br)c1
InChIInChI=1S/C16H15BrN2OS/c1-10-7-8-14(13(17)9-10)18-16(21)19-15(20)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyGYTDYPLGMMLEPT-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.19
Rot. Bonds2

About N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide

N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide (PubChem CID 1027690) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide
PubChem CID1027690
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC NameN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2C)c(Br)c1
InChIInChI=1S/C16H15BrN2OS/c1-10-7-8-14(13(17)9-10)18-16(21)19-15(20)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyGYTDYPLGMMLEPT-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.19
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-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
N-(((1,1'-Biphenyl)-4-ylamino)thioxomethyl)benzamide
CID 3034180
2-(3-Bromobenzoyl)-N-phenylhydrazinecarbothioamide
CID 1250783
N-[(2-bromo-4-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 2362359
N-[(2-bromo-4-methylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2375679
3-bromo-N-(4-propan-2-ylphenyl)benzamide
CID 765231
(7-Bromo-9-oxo-fluoren-2-yl)thiourea
CID 24797460
N-[(2-bromo-4-propan-2-ylphenyl)carbamothioyl]adamantane-1-carboxamide
CID 168294100
N-[(4-bromophenyl)carbamothioyl]benzamide
CID 761276
2-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 823885
N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide
CID 838684
N-[(3-acetylphenyl)carbamothioyl]-4-bromobenzamide
CID 1348860

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide?
The IUPAC name of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide (CID 1027690) is N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide is Cc1ccc(NC(=S)NC(=O)c2ccccc2C)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide?
The InChIKey is GYTDYPLGMMLEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-10-7-8-14(13(17)9-10)18-16(21)19-15(20)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H2,18,19,20,21).
What are the key properties of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide?
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide has a molecular weight of 363.28 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide is sourced from PubChem (CID 1027690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).