N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide

C14H13BrN2O2S — CID 47148033

IUPACN'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2cccs2)ccc1Br
InChIInChI=1S/C14H13BrN2O2S/c1-9-7-10(4-5-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyZHKPJAAHSXFHBE-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.07
Rot. Bonds3

About N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide

N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 47148033) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID47148033
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2cccs2)ccc1Br
InChIInChI=1S/C14H13BrN2O2S/c1-9-7-10(4-5-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyZHKPJAAHSXFHBE-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97257633
N'-(3-cyano-5-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833872
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N'-(4-bromo-3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520369
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66478987

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide (CID 47148033) is N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide is Cc1cc(NC(=O)C(=O)NCc2cccs2)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is ZHKPJAAHSXFHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-9-7-10(4-5-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 353.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 47148033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).