4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide

C14H13BrN2OS — CID 4232826

IUPAC4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Br)cc1)c1ccc(C)s1
InChIInChI=1S/C14H13BrN2OS/c1-9-3-8-13(19-9)10(2)16-17-14(18)11-4-6-12(15)7-5-11/h3-8H,1-2H3,(H,17,18)
InChIKeyVTMADHGBNPGCPD-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.97
Rot. Bonds3

About 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide

4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide (PubChem CID 4232826) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
PubChem CID4232826
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(Br)cc1)c1ccc(C)s1
InChIInChI=1S/C14H13BrN2OS/c1-9-3-8-13(19-9)10(2)16-17-14(18)11-4-6-12(15)7-5-11/h3-8H,1-2H3,(H,17,18)
InChIKeyVTMADHGBNPGCPD-UHFFFAOYSA-N
XLogP3.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 5096046
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
CID 5092659
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide
CID 9154377
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5253057

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide (CID 4232826) is 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(Br)cc1)c1ccc(C)s1.
What is the InChIKey of 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
The InChIKey is VTMADHGBNPGCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-9-3-8-13(19-9)10(2)16-17-14(18)11-4-6-12(15)7-5-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide?
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide has a molecular weight of 337.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 4232826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).